NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
551718 | 2ljv | 17963 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -9.778 32.270 -3.232 2 H2 GLY 1 HT2 GLY 1 -11.330 32.733 -3.747 3 H3 GLY 1 HT3 GLY 1 -10.663 33.407 -2.338 4 HA2 GLY 1 HA1 GLY 1 -10.116 34.023 -5.143 5 HA3 GLY 1 HA2 GLY 1 -10.236 35.108 -3.757 6 H LYS 2 H LYS 2 -8.240 32.207 -4.420 7 HA LYS 2 HA LYS 2 -5.934 33.384 -3.116 8 HB2 LYS 2 HB2 LYS 2 -6.251 30.942 -4.882 9 HB3 LYS 2 HB1 LYS 2 -4.736 31.388 -4.098 10 HG2 LYS 2 HG2 LYS 2 -5.898 31.331 -1.894 11 HG3 LYS 2 HG1 LYS 2 -7.360 30.776 -2.710 12 HD2 LYS 2 HD2 LYS 2 -6.333 28.731 -3.381 13 HD3 LYS 2 HD1 LYS 2 -4.721 29.322 -2.972 14 HE2 LYS 2 HE2 LYS 2 -5.882 29.604 -0.565 15 HE3 LYS 2 HE1 LYS 2 -6.870 28.281 -1.187 16 HZ1 LYS 2 HZ1 LYS 2 -4.964 26.958 -1.531 17 HZ2 LYS 2 HZ2 LYS 2 -4.803 27.611 0.029 18 HZ3 LYS 2 HZ3 LYS 2 -3.907 28.257 -1.262 19 H GLU 3 H GLU 3 -4.843 35.050 -4.040 20 HA GLU 3 HA GLU 3 -4.924 35.530 -6.911 21 HB2 GLU 3 HB2 GLU 3 -3.530 36.836 -4.578 22 HB3 GLU 3 HB1 GLU 3 -3.139 37.295 -6.236 23 HG2 GLU 3 HG2 GLU 3 -4.911 38.744 -5.265 24 HG3 GLU 3 HG1 GLU 3 -5.488 37.843 -6.668 25 H CYS 4 H CYS 4 -3.058 33.507 -4.925 26 HA CYS 4 HA CYS 4 -0.715 33.633 -6.733 27 HB2 CYS 4 HB2 CYS 4 -1.173 31.996 -4.223 28 HB3 CYS 4 HB1 CYS 4 0.320 32.023 -5.155 29 H ASP 5 H ASP 5 -1.534 32.646 -8.653 30 HA ASP 5 HA ASP 5 -2.791 29.985 -8.415 31 HB2 ASP 5 HB2 ASP 5 -3.569 31.773 -10.053 32 HB3 ASP 5 HB1 ASP 5 -2.067 31.506 -10.935 33 H CYS 6 H CYS 6 0.221 30.942 -8.048 34 HA CYS 6 HA CYS 6 1.377 28.435 -8.998 35 HB2 CYS 6 HB2 CYS 6 1.613 29.537 -11.077 36 HB3 CYS 6 HB1 CYS 6 1.968 31.080 -10.314 37 H SER 7 H SER 7 3.705 28.299 -8.233 38 HA SER 7 HA SER 7 4.317 30.311 -6.119 39 HB2 SER 7 HB2 SER 7 3.193 28.273 -5.134 40 HB3 SER 7 HB1 SER 7 4.563 27.322 -5.699 41 HG SER 7 HG SER 7 5.733 29.211 -4.515 42 H SER 8 H SER 8 5.597 30.342 -8.565 43 HA SER 8 HA SER 8 8.260 29.166 -7.885 44 HB2 SER 8 HB2 SER 8 6.652 28.849 -10.274 45 HB3 SER 8 HB1 SER 8 8.202 29.591 -10.663 46 HG SER 8 HG SER 8 9.215 27.880 -9.563 47 HA PRO 9 HA PRO 9 9.296 33.507 -8.094 48 HB2 PRO 9 HB2 PRO 9 11.904 33.182 -7.286 49 HB3 PRO 9 HB1 PRO 9 10.526 33.192 -6.170 50 HG2 PRO 9 HG2 PRO 9 12.159 30.882 -7.116 51 HG3 PRO 9 HG1 PRO 9 11.250 31.071 -5.608 52 HD2 PRO 9 HD2 PRO 9 10.415 29.586 -7.868 53 HD3 PRO 9 HD1 PRO 9 9.392 30.064 -6.496 54 H GLU 10 H GLU 10 10.037 31.155 -10.242 55 HA GLU 10 HA GLU 10 11.502 33.041 -11.982 56 HB2 GLU 10 HB2 GLU 10 12.812 30.895 -10.605 57 HB3 GLU 10 HB1 GLU 10 12.768 30.506 -12.325 58 HG2 GLU 10 HG2 GLU 10 14.121 32.264 -12.900 59 HG3 GLU 10 HG1 GLU 10 13.478 33.307 -11.631 60 H ASN 11 H ASN 11 8.857 32.215 -12.196 61 HA ASN 11 HA ASN 11 8.962 30.272 -14.466 62 HB2 ASN 11 HB2 ASN 11 7.310 30.364 -12.110 63 HB3 ASN 11 HB1 ASN 11 6.296 30.547 -13.538 64 HD21 ASN 11 1HD2 ASN 11 5.610 28.247 -12.688 65 HD22 ASN 11 2HD2 ASN 11 6.489 26.933 -13.305 66 HA PRO 12 HA PRO 12 7.538 33.684 -16.896 67 HB2 PRO 12 HB2 PRO 12 6.901 32.234 -19.145 68 HB3 PRO 12 HB1 PRO 12 8.562 32.654 -18.690 69 HG2 PRO 12 HG2 PRO 12 7.171 30.024 -18.491 70 HG3 PRO 12 HG1 PRO 12 8.900 30.369 -18.654 71 HD2 PRO 12 HD2 PRO 12 7.572 29.651 -16.259 72 HD3 PRO 12 HD1 PRO 12 9.215 30.314 -16.384 73 H CYS 13 H CYS 13 5.578 30.699 -16.874 74 HA CYS 13 HA CYS 13 3.124 31.912 -17.720 75 HB2 CYS 13 HB2 CYS 13 3.622 29.458 -16.009 76 HB3 CYS 13 HB1 CYS 13 2.059 29.897 -16.702 77 H CYS 14 H CYS 14 4.731 31.786 -14.590 78 HA CYS 14 HA CYS 14 2.459 33.405 -13.575 79 HB2 CYS 14 HB2 CYS 14 2.685 32.378 -11.364 80 HB3 CYS 14 HB1 CYS 14 2.295 31.170 -12.586 81 H ASP 15 H ASP 15 2.950 35.190 -12.416 82 HA ASP 15 HA ASP 15 5.812 35.955 -12.318 83 HB2 ASP 15 HB2 ASP 15 3.271 37.553 -11.858 84 HB3 ASP 15 HB1 ASP 15 4.903 38.223 -11.817 85 H ALA 16 H ALA 16 6.904 35.884 -10.415 86 HA ALA 16 HA ALA 16 5.697 34.905 -8.004 87 HB1 ALA 16 HB1 ALA 16 8.206 34.908 -8.778 88 HB2 ALA 16 HB2 ALA 16 7.834 35.055 -7.059 89 HB3 ALA 16 HB3 ALA 16 8.255 36.489 -7.996 90 H ALA 17 H ALA 17 6.357 38.151 -9.223 91 HA ALA 17 HA ALA 17 6.090 39.673 -6.887 92 HB1 ALA 17 HB1 ALA 17 4.622 40.579 -9.335 93 HB2 ALA 17 HB2 ALA 17 6.368 40.357 -9.443 94 HB3 ALA 17 HB3 ALA 17 5.695 41.491 -8.272 95 H THR 18 H THR 18 3.476 38.468 -9.007 96 HA THR 18 HA THR 18 1.589 38.947 -6.736 97 HB THR 18 HB THR 18 -0.196 39.097 -8.407 98 HG1 THR 18 HG1 THR 18 0.336 38.972 -10.595 99 HG21 THR 18 3HG2 THR 18 0.370 41.217 -9.317 100 HG22 THR 18 1HG2 THR 18 2.086 40.816 -9.385 101 HG23 THR 18 2HG2 THR 18 1.305 41.094 -7.827 102 H CYS 19 H CYS 19 3.401 36.597 -7.651 103 HA CYS 19 HA CYS 19 3.226 34.267 -7.975 104 HB2 CYS 19 HB2 CYS 19 1.785 33.234 -6.159 105 HB3 CYS 19 HB1 CYS 19 3.001 34.376 -5.593 106 H LYS 20 H LYS 20 1.310 35.886 -9.672 107 HA LYS 20 HA LYS 20 -0.843 33.821 -9.907 108 HB2 LYS 20 HB2 LYS 20 -1.074 36.579 -9.753 109 HB3 LYS 20 HB1 LYS 20 -1.235 36.254 -11.478 110 HG2 LYS 20 HG2 LYS 20 -2.716 34.307 -9.919 111 HG3 LYS 20 HG1 LYS 20 -3.220 35.947 -9.510 112 HD2 LYS 20 HD2 LYS 20 -3.022 36.086 -12.249 113 HD3 LYS 20 HD1 LYS 20 -3.605 34.438 -12.010 114 HE2 LYS 20 HE2 LYS 20 -5.528 35.909 -12.181 115 HE3 LYS 20 HE1 LYS 20 -5.399 35.353 -10.513 116 HZ1 LYS 20 HZ1 LYS 20 -3.961 37.791 -11.164 117 HZ2 LYS 20 HZ2 LYS 20 -4.855 37.392 -9.776 118 HZ3 LYS 20 HZ3 LYS 20 -5.653 37.907 -11.185 119 H LEU 21 H LEU 21 -1.578 34.606 -12.597 120 HA LEU 21 HA LEU 21 0.876 33.787 -14.086 121 HB2 LEU 21 HB2 LEU 21 -1.855 32.610 -14.182 122 HB3 LEU 21 HB1 LEU 21 -0.871 32.636 -15.635 123 HG LEU 21 HG LEU 21 0.978 31.636 -14.024 124 HD11 LEU 21 1HD1 LEU 21 -1.617 30.859 -12.676 125 HD12 LEU 21 2HD1 LEU 21 -0.369 31.895 -11.984 126 HD13 LEU 21 3HD1 LEU 21 -0.029 30.192 -12.297 127 HD21 LEU 21 3HD2 LEU 21 -1.041 29.560 -14.492 128 HD22 LEU 21 1HD2 LEU 21 0.585 29.712 -15.157 129 HD23 LEU 21 2HD2 LEU 21 -0.757 30.586 -15.898 130 H ARG 22 H ARG 22 0.462 33.842 -16.420 131 HA ARG 22 HA ARG 22 -0.807 36.415 -17.126 132 HB2 ARG 22 HB2 ARG 22 1.443 36.234 -17.996 133 HB3 ARG 22 HB1 ARG 22 1.146 34.594 -18.573 134 HG2 ARG 22 HG2 ARG 22 0.445 35.421 -20.542 135 HG3 ARG 22 HG1 ARG 22 -0.849 36.287 -19.711 136 HD2 ARG 22 HD2 ARG 22 0.447 38.240 -19.473 137 HD3 ARG 22 HD1 ARG 22 1.960 37.378 -19.752 138 HE ARG 22 HE ARG 22 0.380 37.139 -22.100 139 HH11 ARG 22 1HH1 ARG 22 1.466 39.745 -20.163 140 HH12 ARG 22 2HH1 ARG 22 2.041 40.688 -21.498 141 HH21 ARG 22 1HH2 ARG 22 1.353 38.244 -23.861 142 HH22 ARG 22 2HH2 ARG 22 1.976 39.837 -23.593 143 HA PRO 23 HA PRO 23 -4.331 33.965 -18.307 144 HB2 PRO 23 HB2 PRO 23 -5.421 35.886 -19.997 145 HB3 PRO 23 HB1 PRO 23 -5.612 35.862 -18.234 146 HG2 PRO 23 HG2 PRO 23 -3.679 37.480 -19.897 147 HG3 PRO 23 HG1 PRO 23 -4.589 37.965 -18.449 148 HD2 PRO 23 HD2 PRO 23 -1.951 37.250 -18.261 149 HD3 PRO 23 HD1 PRO 23 -3.113 36.862 -16.985 150 H GLY 24 H GLY 24 -2.383 32.824 -19.430 151 HA2 GLY 24 HA1 GLY 24 -3.010 32.657 -22.335 152 HA3 GLY 24 HA2 GLY 24 -1.330 32.670 -21.792 153 H ALA 25 H ALA 25 -1.600 31.080 -19.438 154 HA ALA 25 HA ALA 25 -2.247 28.438 -20.678 155 HB1 ALA 25 HB1 ALA 25 0.118 29.060 -19.735 156 HB2 ALA 25 HB2 ALA 25 -0.573 27.488 -19.331 157 HB3 ALA 25 HB3 ALA 25 -0.635 28.806 -18.160 158 H GLN 26 H GLN 26 -2.094 27.374 -17.802 159 HA GLN 26 HA GLN 26 -4.732 28.406 -16.857 160 HB2 GLN 26 HB2 GLN 26 -4.107 25.765 -17.845 161 HB3 GLN 26 HB1 GLN 26 -4.584 25.676 -16.150 162 HG2 GLN 26 HG2 GLN 26 -6.732 26.243 -16.608 163 HG3 GLN 26 HG1 GLN 26 -6.249 27.494 -17.752 164 HE21 GLN 26 1HE2 GLN 26 -4.757 25.928 -19.602 165 HE22 GLN 26 2HE2 GLN 26 -5.805 24.829 -20.359 166 H CYS 27 H CYS 27 -1.641 26.896 -16.081 167 HA CYS 27 HA CYS 27 -1.885 27.963 -13.338 168 HB2 CYS 27 HB2 CYS 27 -2.120 25.969 -12.322 169 HB3 CYS 27 HB1 CYS 27 -2.375 25.255 -13.907 170 H GLY 28 H GLY 28 0.268 27.794 -12.195 171 HA2 GLY 28 HA2 GLY 28 2.485 28.089 -14.177 172 HA3 GLY 28 HA1 GLY 28 2.434 28.921 -12.621 173 H GLU 29 H GLU 29 1.431 26.611 -11.167 174 HA GLU 29 HA GLU 29 3.597 24.599 -11.444 175 HB2 GLU 29 HB2 GLU 29 4.079 26.553 -9.722 176 HB3 GLU 29 HB1 GLU 29 2.967 25.637 -8.704 177 HG2 GLU 29 HG2 GLU 29 4.814 24.446 -8.124 178 HG3 GLU 29 HG1 GLU 29 4.582 23.646 -9.678 179 H GLY 30 H GLY 30 3.060 22.593 -10.228 180 HA2 GLY 30 HA2 GLY 30 1.036 21.853 -8.643 181 HA3 GLY 30 HA1 GLY 30 0.122 22.208 -10.109 182 H LEU 31 H LEU 31 0.325 19.604 -8.888 183 HA LEU 31 HA LEU 31 2.238 18.029 -10.448 184 HB2 LEU 31 HB2 LEU 31 1.549 17.294 -8.187 185 HB3 LEU 31 HB1 LEU 31 -0.116 17.158 -8.739 186 HG LEU 31 HG LEU 31 0.363 15.318 -10.128 187 HD11 LEU 31 1HD1 LEU 31 2.929 14.663 -10.327 188 HD12 LEU 31 2HD1 LEU 31 3.164 16.383 -10.014 189 HD13 LEU 31 3HD1 LEU 31 2.223 15.860 -11.412 190 HD21 LEU 31 3HD2 LEU 31 1.375 13.705 -8.661 191 HD22 LEU 31 1HD2 LEU 31 0.576 14.892 -7.629 192 HD23 LEU 31 2HD2 LEU 31 2.324 14.950 -7.849 193 H CYS 32 H CYS 32 -1.292 18.507 -10.424 194 HA CYS 32 HA CYS 32 -1.572 16.932 -12.900 195 HB2 CYS 32 HB2 CYS 32 -3.706 18.546 -11.490 196 HB3 CYS 32 HB1 CYS 32 -3.929 17.178 -12.583 197 H CYS 33 H CYS 33 0.043 19.311 -13.100 198 HA CYS 33 HA CYS 33 -1.501 20.694 -15.209 199 HB2 CYS 33 HB2 CYS 33 -1.972 22.227 -13.497 200 HB3 CYS 33 HB1 CYS 33 -0.416 22.000 -12.717 201 H GLU 34 H GLU 34 -0.178 20.282 -16.916 202 HA GLU 34 HA GLU 34 2.761 20.675 -16.534 203 HB2 GLU 34 HB2 GLU 34 1.401 18.951 -18.623 204 HB3 GLU 34 HB1 GLU 34 3.123 19.015 -18.253 205 HG2 GLU 34 HG2 GLU 34 1.510 18.454 -15.885 206 HG3 GLU 34 HG1 GLU 34 1.287 17.241 -17.148 207 H GLN 35 H GLN 35 3.859 21.834 -18.200 208 HA GLN 35 HA GLN 35 4.047 23.491 -19.848 209 HB2 GLN 35 HB2 GLN 35 1.431 22.391 -20.907 210 HB3 GLN 35 HB1 GLN 35 2.664 23.271 -21.809 211 HG2 GLN 35 HG2 GLN 35 4.067 21.448 -21.945 212 HG3 GLN 35 HG1 GLN 35 3.516 20.779 -20.409 213 HE21 GLN 35 1HE2 GLN 35 3.669 19.525 -23.203 214 HE22 GLN 35 2HE2 GLN 35 2.106 18.926 -23.480 215 H CYS 36 H CYS 36 2.563 23.958 -17.335 216 HA CYS 36 HA CYS 36 1.382 25.750 -16.385 217 HB2 CYS 36 HB2 CYS 36 1.292 26.883 -19.196 218 HB3 CYS 36 HB1 CYS 36 1.072 27.766 -17.682 219 H LYS 37 H LYS 37 0.197 23.466 -18.308 220 HA LYS 37 HA LYS 37 -2.582 24.565 -18.244 221 HB2 LYS 37 HB2 LYS 37 -1.170 22.752 -20.181 222 HB3 LYS 37 HB1 LYS 37 -2.916 22.607 -19.975 223 HG2 LYS 37 HG2 LYS 37 -3.287 24.486 -21.163 224 HG3 LYS 37 HG1 LYS 37 -2.124 25.392 -20.193 225 HD2 LYS 37 HD2 LYS 37 -0.283 24.320 -21.542 226 HD3 LYS 37 HD1 LYS 37 -1.528 23.643 -22.594 227 HE2 LYS 37 HE2 LYS 37 -2.366 26.143 -22.705 228 HE3 LYS 37 HE1 LYS 37 -0.707 26.507 -22.232 229 HZ1 LYS 37 HZ1 LYS 37 0.029 25.091 -24.104 230 HZ2 LYS 37 HZ2 LYS 37 -0.830 26.471 -24.598 231 HZ3 LYS 37 HZ3 LYS 37 -1.587 24.950 -24.599 232 H PHE 38 H PHE 38 -4.262 22.900 -17.755 233 HA PHE 38 HA PHE 38 -3.493 21.318 -15.459 234 HB2 PHE 38 HB2 PHE 38 -6.056 21.230 -17.076 235 HB3 PHE 38 HB1 PHE 38 -5.825 20.557 -15.464 236 HD1 PHE 38 HD1 PHE 38 -3.938 22.898 -14.567 237 HD2 PHE 38 HD2 PHE 38 -7.836 22.757 -16.368 238 HE1 PHE 38 HE1 PHE 38 -4.481 25.099 -13.564 239 HE2 PHE 38 HE2 PHE 38 -8.378 24.958 -15.365 240 HZ PHE 38 HZ PHE 38 -6.702 26.131 -13.963 241 H SER 39 H SER 39 -3.664 18.989 -15.282 242 HA SER 39 HA SER 39 -2.718 17.617 -17.713 243 HB2 SER 39 HB2 SER 39 -2.538 17.196 -14.848 244 HB3 SER 39 HB1 SER 39 -3.117 15.739 -15.648 245 HG SER 39 HG SER 39 -0.656 16.620 -15.530 246 H ARG 40 H ARG 40 -3.867 15.806 -18.625 247 HA ARG 40 HA ARG 40 -6.685 16.103 -18.814 248 HB2 ARG 40 HB2 ARG 40 -4.970 13.667 -19.386 249 HB3 ARG 40 HB1 ARG 40 -6.642 13.870 -19.910 250 HG2 ARG 40 HG2 ARG 40 -5.800 14.840 -21.767 251 HG3 ARG 40 HG1 ARG 40 -5.414 16.221 -20.739 252 HD2 ARG 40 HD2 ARG 40 -3.288 14.689 -20.168 253 HD3 ARG 40 HD1 ARG 40 -3.627 14.079 -21.788 254 HE ARG 40 HE ARG 40 -3.559 17.002 -21.599 255 HH11 ARG 40 1HH1 ARG 40 -1.315 14.508 -21.258 256 HH12 ARG 40 2HH1 ARG 40 -0.270 15.047 -22.530 257 HH21 ARG 40 1HH2 ARG 40 -2.435 17.527 -23.618 258 HH22 ARG 40 2HH2 ARG 40 -0.904 16.755 -23.865 259 H ALA 41 H ALA 41 -8.303 14.392 -18.153 260 HA ALA 41 HA ALA 41 -8.227 13.996 -15.313 261 HB1 ALA 41 HB1 ALA 41 -9.983 12.448 -17.223 262 HB2 ALA 41 HB2 ALA 41 -10.289 14.142 -16.843 263 HB3 ALA 41 HB3 ALA 41 -10.336 12.929 -15.563 264 H GLY 42 H GLY 42 -8.270 11.881 -14.210 265 HA2 GLY 42 HA2 GLY 42 -7.456 9.709 -13.822 266 HA3 GLY 42 HA1 GLY 42 -7.358 9.495 -15.571 267 H LYS 43 H LYS 43 -5.774 12.248 -14.146 268 HA LYS 43 HA LYS 43 -3.183 11.212 -15.072 269 HB2 LYS 43 HB2 LYS 43 -3.606 13.558 -15.447 270 HB3 LYS 43 HB1 LYS 43 -3.993 13.810 -13.746 271 HG2 LYS 43 HG2 LYS 43 -1.679 14.558 -14.345 272 HG3 LYS 43 HG1 LYS 43 -1.704 13.313 -13.095 273 HD2 LYS 43 HD2 LYS 43 -1.184 11.590 -14.730 274 HD3 LYS 43 HD1 LYS 43 -1.303 12.756 -16.048 275 HE2 LYS 43 HE2 LYS 43 0.525 14.060 -14.665 276 HE3 LYS 43 HE1 LYS 43 0.833 12.474 -13.957 277 HZ1 LYS 43 HZ1 LYS 43 0.984 11.624 -16.290 278 HZ2 LYS 43 HZ2 LYS 43 2.233 12.680 -15.831 279 HZ3 LYS 43 HZ3 LYS 43 0.968 13.236 -16.819 280 H ILE 44 H ILE 44 -2.063 9.842 -13.787 281 HA ILE 44 HA ILE 44 -2.576 9.436 -11.008 282 HB ILE 44 HB ILE 44 -0.182 8.769 -12.733 283 HG12 ILE 44 2HG1 ILE 44 -2.461 7.671 -13.108 284 HG13 ILE 44 1HG1 ILE 44 -1.120 6.569 -12.795 285 HG21 ILE 44 1HG2 ILE 44 0.938 8.460 -10.790 286 HG22 ILE 44 2HG2 ILE 44 -0.139 7.088 -10.524 287 HG23 ILE 44 3HG2 ILE 44 -0.526 8.660 -9.827 288 HD11 ILE 44 3HD1 ILE 44 -2.622 7.564 -10.423 289 HD12 ILE 44 1HD1 ILE 44 -1.909 5.979 -10.718 290 HD13 ILE 44 2HD1 ILE 44 -3.451 6.403 -11.462 291 H CYS 45 H CYS 45 -2.140 10.836 -9.394 292 HA CYS 45 HA CYS 45 0.210 12.665 -9.704 293 HB2 CYS 45 HB2 CYS 45 -1.053 14.046 -7.952 294 HB3 CYS 45 HB1 CYS 45 -1.755 14.002 -9.569 295 H ARG 46 H ARG 46 -0.971 9.980 -8.021 296 HA ARG 46 HA ARG 46 1.294 10.060 -6.176 297 HB2 ARG 46 HB2 ARG 46 -1.357 10.917 -5.307 298 HB3 ARG 46 HB1 ARG 46 -0.777 9.532 -4.381 299 HG2 ARG 46 HG2 ARG 46 0.738 10.796 -3.292 300 HG3 ARG 46 HG1 ARG 46 1.344 11.473 -4.804 301 HD2 ARG 46 HD2 ARG 46 -0.716 12.971 -4.819 302 HD3 ARG 46 HD1 ARG 46 -1.011 12.435 -3.164 303 HE ARG 46 HE ARG 46 1.072 13.532 -2.499 304 HH11 ARG 46 1HH1 ARG 46 -0.516 15.632 -4.029 305 HH12 ARG 46 2HH1 ARG 46 0.712 16.305 -5.049 306 HH21 ARG 46 1HH2 ARG 46 2.924 13.678 -4.562 307 HH22 ARG 46 2HH2 ARG 46 2.660 15.197 -5.353 308 H ILE 47 H ILE 47 1.857 8.077 -5.495 309 HA ILE 47 HA ILE 47 0.006 5.813 -5.986 310 HB ILE 47 HB ILE 47 2.608 6.401 -7.336 311 HG12 ILE 47 2HG1 ILE 47 0.288 6.543 -8.385 312 HG13 ILE 47 1HG1 ILE 47 1.459 5.552 -9.254 313 HG21 ILE 47 1HG2 ILE 47 1.633 3.599 -6.755 314 HG22 ILE 47 2HG2 ILE 47 3.053 4.351 -6.028 315 HG23 ILE 47 3HG2 ILE 47 3.013 4.034 -7.763 316 HD11 ILE 47 3HD1 ILE 47 -0.636 4.331 -9.128 317 HD12 ILE 47 1HD1 ILE 47 -0.712 4.568 -7.382 318 HD13 ILE 47 2HD1 ILE 47 0.537 3.536 -8.078 319 HA PRO 48 HA PRO 48 1.996 5.162 -1.996 320 HB2 PRO 48 HB2 PRO 48 0.086 3.416 -1.065 321 HB3 PRO 48 HB1 PRO 48 -0.094 5.174 -1.034 322 HG2 PRO 48 HG2 PRO 48 -1.379 3.196 -2.863 323 HG3 PRO 48 HG1 PRO 48 -1.966 4.781 -2.329 324 HD2 PRO 48 HD2 PRO 48 -0.779 4.219 -4.834 325 HD3 PRO 48 HD1 PRO 48 -1.048 5.836 -4.149 326 H ARG 49 H ARG 49 0.486 2.053 -2.074 327 HA ARG 49 HA ARG 49 2.367 0.620 -3.676 328 HB2 ARG 49 HB2 ARG 49 3.629 1.570 -1.470 329 HB3 ARG 49 HB1 ARG 49 3.013 0.042 -0.838 330 HG2 ARG 49 HG2 ARG 49 5.127 -0.515 -1.750 331 HG3 ARG 49 HG1 ARG 49 3.974 -1.020 -2.985 332 HD2 ARG 49 HD2 ARG 49 4.357 1.501 -3.810 333 HD3 ARG 49 HD1 ARG 49 5.908 1.250 -3.011 334 HE ARG 49 HE ARG 49 5.345 -0.992 -4.701 335 HH11 ARG 49 1HH1 ARG 49 5.230 2.289 -5.439 336 HH12 ARG 49 2HH1 ARG 49 6.460 2.235 -6.657 337 HH21 ARG 49 1HH2 ARG 49 7.350 -1.049 -5.989 338 HH22 ARG 49 2HH2 ARG 49 7.660 0.346 -6.968 339 H LEU 50 H LEU 50 0.312 0.572 -0.792 340 HA LEU 50 HA LEU 50 -0.170 -2.245 -0.797 341 HB2 LEU 50 HB2 LEU 50 -2.290 -1.626 0.484 342 HB3 LEU 50 HB1 LEU 50 -0.770 -1.109 1.196 343 HG LEU 50 HG LEU 50 -2.824 0.550 1.018 344 HD11 LEU 50 1HD1 LEU 50 -0.731 2.259 0.298 345 HD12 LEU 50 2HD1 LEU 50 0.056 0.869 1.044 346 HD13 LEU 50 3HD1 LEU 50 -1.178 1.763 1.931 347 HD21 LEU 50 3HD2 LEU 50 -3.052 0.288 -1.453 348 HD22 LEU 50 1HD2 LEU 50 -1.450 0.997 -1.650 349 HD23 LEU 50 2HD2 LEU 50 -2.760 1.956 -0.969 350 H ASP 51 H ASP 51 -2.829 -2.739 -0.973 351 HA ASP 51 HA ASP 51 -3.280 -2.480 -3.877 352 HB2 ASP 51 HB2 ASP 51 -5.241 -3.840 -2.074 353 HB3 ASP 51 HB1 ASP 51 -4.695 -4.301 -3.686 354 H MET 52 H MET 52 -4.068 -0.443 -4.329 355 HA MET 52 HA MET 52 -6.778 0.178 -3.400 356 HB2 MET 52 HB2 MET 52 -4.426 1.431 -2.205 357 HB3 MET 52 HB1 MET 52 -5.502 2.618 -2.941 358 HG2 MET 52 HG2 MET 52 -6.617 2.464 -0.957 359 HG3 MET 52 HG1 MET 52 -7.312 1.015 -1.686 360 HE1 MET 52 HE1 MET 52 -7.696 -0.719 -0.303 361 HE2 MET 52 HE2 MET 52 -7.747 0.411 1.048 362 HE3 MET 52 HE3 MET 52 -6.883 -1.115 1.218 363 HA PRO 53 HA PRO 53 -6.937 2.305 -7.243 364 HB2 PRO 53 HB2 PRO 53 -8.431 4.531 -6.661 365 HB3 PRO 53 HB1 PRO 53 -9.118 2.898 -6.753 366 HG2 PRO 53 HG2 PRO 53 -8.464 4.538 -4.349 367 HG3 PRO 53 HG1 PRO 53 -9.744 3.329 -4.557 368 HD2 PRO 53 HD2 PRO 53 -7.321 2.899 -3.209 369 HD3 PRO 53 HD1 PRO 53 -8.377 1.616 -3.839 370 H ASP 54 H ASP 54 -5.039 3.183 -7.957 371 HA ASP 54 HA ASP 54 -3.302 4.939 -6.673 372 HB2 ASP 54 HB2 ASP 54 -3.841 5.112 -9.642 373 HB3 ASP 54 HB1 ASP 54 -2.314 5.373 -8.796 374 H ASP 55 H ASP 55 -3.052 7.227 -6.676 375 HA ASP 55 HA ASP 55 -5.573 8.701 -6.723 376 HB2 ASP 55 HB2 ASP 55 -2.712 9.395 -6.074 377 HB3 ASP 55 HB1 ASP 55 -3.929 10.661 -6.239 378 H ARG 56 H ARG 56 -6.396 9.464 -8.607 379 HA ARG 56 HA ARG 56 -4.463 10.352 -10.713 380 HB2 ARG 56 HB2 ARG 56 -7.197 9.075 -10.953 381 HB3 ARG 56 HB1 ARG 56 -6.399 9.879 -12.304 382 HG2 ARG 56 HG2 ARG 56 -4.442 8.368 -12.012 383 HG3 ARG 56 HG1 ARG 56 -5.312 7.527 -10.729 384 HD2 ARG 56 HD2 ARG 56 -5.973 7.647 -13.671 385 HD3 ARG 56 HD1 ARG 56 -5.730 6.222 -12.659 386 HE ARG 56 HE ARG 56 -8.216 7.690 -12.951 387 HH11 ARG 56 1HH1 ARG 56 -6.799 4.944 -11.717 388 HH12 ARG 56 2HH1 ARG 56 -7.864 4.772 -10.363 389 HH21 ARG 56 1HH2 ARG 56 -9.365 7.864 -10.812 390 HH22 ARG 56 2HH2 ARG 56 -9.317 6.425 -9.850 391 H CYS 57 H CYS 57 -4.945 12.336 -11.774 392 HA CYS 57 HA CYS 57 -6.459 14.228 -10.150 393 HB2 CYS 57 HB2 CYS 57 -5.349 14.719 -12.917 394 HB3 CYS 57 HB1 CYS 57 -5.668 15.905 -11.654 395 H THR 58 H THR 58 -8.315 15.408 -10.835 396 HA THR 58 HA THR 58 -10.266 13.856 -12.287 397 HB THR 58 HB THR 58 -11.783 15.644 -11.832 398 HG1 THR 58 HG1 THR 58 -9.424 17.181 -11.552 399 HG21 THR 58 3HG2 THR 58 -10.764 16.377 -9.421 400 HG22 THR 58 1HG2 THR 58 -9.781 14.954 -9.766 401 HG23 THR 58 2HG2 THR 58 -11.538 14.822 -9.722 402 H GLY 59 H GLY 59 -7.729 15.763 -13.356 403 HA2 GLY 59 HA2 GLY 59 -7.211 16.090 -15.675 404 HA3 GLY 59 HA1 GLY 59 -8.914 15.858 -16.066 405 H GLN 60 H GLN 60 -9.760 17.718 -13.912 406 HA GLN 60 HA GLN 60 -9.207 20.236 -15.395 407 HB2 GLN 60 HB2 GLN 60 -11.259 19.981 -13.213 408 HB3 GLN 60 HB1 GLN 60 -11.273 21.024 -14.635 409 HG2 GLN 60 HG2 GLN 60 -11.399 18.854 -16.014 410 HG3 GLN 60 HG1 GLN 60 -11.802 18.055 -14.494 411 HE21 GLN 60 1HE2 GLN 60 -13.318 20.326 -13.384 412 HE22 GLN 60 2HE2 GLN 60 -14.762 20.427 -14.272 413 H SER 61 H SER 61 -8.468 18.608 -12.457 414 HA SER 61 HA SER 61 -7.942 21.055 -10.923 415 HB2 SER 61 HB2 SER 61 -8.491 18.546 -10.133 416 HB3 SER 61 HB1 SER 61 -6.732 18.453 -10.119 417 HG SER 61 HG SER 61 -6.781 20.389 -8.828 418 H ALA 62 H ALA 62 -5.890 21.947 -10.508 419 HA ALA 62 HA ALA 62 -3.828 21.299 -12.508 420 HB1 ALA 62 HB1 ALA 62 -2.806 23.228 -10.750 421 HB2 ALA 62 HB2 ALA 62 -4.530 23.588 -10.854 422 HB3 ALA 62 HB3 ALA 62 -3.551 23.531 -12.319 423 H ASP 63 H ASP 63 -4.155 21.316 -8.955 424 HA ASP 63 HA ASP 63 -1.633 19.722 -8.816 425 HB2 ASP 63 HB2 ASP 63 -2.336 20.346 -6.200 426 HB3 ASP 63 HB1 ASP 63 -1.135 21.195 -7.168 427 H CYS 64 H CYS 64 -1.762 18.112 -6.827 428 HA CYS 64 HA CYS 64 -4.359 16.666 -7.104 429 HB2 CYS 64 HB2 CYS 64 -2.309 15.497 -7.965 430 HB3 CYS 64 HB1 CYS 64 -1.682 15.502 -6.315 431 HA PRO 65 HA PRO 65 -4.806 17.541 -2.803 432 HB2 PRO 65 HB2 PRO 65 -7.300 16.420 -2.654 433 HB3 PRO 65 HB1 PRO 65 -7.007 18.045 -3.273 434 HG2 PRO 65 HG2 PRO 65 -7.721 15.558 -4.735 435 HG3 PRO 65 HG1 PRO 65 -7.963 17.248 -5.210 436 HD2 PRO 65 HD2 PRO 65 -5.926 15.512 -6.153 437 HD3 PRO 65 HD1 PRO 65 -6.024 17.267 -6.412 438 H ARG 66 H ARG 66 -6.337 15.730 -1.211 439 HA ARG 66 HA ARG 66 -5.033 13.086 -1.563 440 HB2 ARG 66 HB2 ARG 66 -3.972 14.982 0.169 441 HB3 ARG 66 HB1 ARG 66 -4.970 13.980 1.223 442 HG2 ARG 66 HG2 ARG 66 -3.830 11.976 0.529 443 HG3 ARG 66 HG1 ARG 66 -2.976 12.840 -0.750 444 HD2 ARG 66 HD2 ARG 66 -1.884 14.254 1.009 445 HD3 ARG 66 HD1 ARG 66 -2.642 13.239 2.236 446 HE ARG 66 HE ARG 66 -1.340 11.317 1.195 447 HH11 ARG 66 1HH2 ARG 66 -0.258 12.837 -1.143 448 HH12 ARG 66 2HH2 ARG 66 1.333 13.255 -0.603 449 HH21 ARG 66 1HH1 ARG 66 0.654 12.622 2.737 450 HH22 ARG 66 2HH1 ARG 66 1.849 13.135 1.594 451 H TYR 67 H TYR 67 -6.844 11.817 -1.648 452 HA TYR 67 HA TYR 67 -8.855 12.187 0.533 453 HB2 TYR 67 HB2 TYR 67 -10.644 11.797 -0.965 454 HB3 TYR 67 HB1 TYR 67 -9.577 12.880 -1.855 455 HD1 TYR 67 HD2 TYR 67 -8.059 11.969 -3.623 456 HD2 TYR 67 HD1 TYR 67 -11.007 9.531 -1.671 457 HE1 TYR 67 HE2 TYR 67 -7.850 10.277 -5.423 458 HE2 TYR 67 HE1 TYR 67 -10.799 7.838 -3.472 459 HH TYR 67 HH TYR 67 -8.262 7.832 -5.702 460 H HIS 68 H HIS 68 -9.760 10.234 1.366 461 HA HIS 68 HA HIS 68 -9.833 7.928 1.839 462 HB2 HIS 68 HB2 HIS 68 -9.624 7.974 -0.865 463 HB3 HIS 68 HB1 HIS 68 -8.104 7.179 -0.456 464 HD1 HIS 68 HD1 HIS 68 -11.712 6.573 -0.743 465 HD2 HIS 68 HD2 HIS 68 -8.500 4.761 1.202 466 HE1 HIS 68 HE1 HIS 68 -12.490 4.256 -0.082 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -1.925 35.157 1.476 2 H2 GLY 1 HT2 GLY 1 -2.804 33.894 2.194 3 H3 GLY 1 HT3 GLY 1 -2.575 35.356 3.030 4 HA2 GLY 1 HA1 GLY 1 -4.631 35.822 2.289 5 HA3 GLY 1 HA2 GLY 1 -3.748 36.276 0.831 6 H LYS 2 H LYS 2 -6.394 35.383 0.656 7 HA LYS 2 HA LYS 2 -6.157 32.569 -0.301 8 HB2 LYS 2 HB2 LYS 2 -8.038 33.477 1.315 9 HB3 LYS 2 HB1 LYS 2 -8.760 34.058 -0.186 10 HG2 LYS 2 HG2 LYS 2 -8.059 31.513 -0.896 11 HG3 LYS 2 HG1 LYS 2 -8.459 31.293 0.808 12 HD2 LYS 2 HD2 LYS 2 -10.420 33.015 -0.399 13 HD3 LYS 2 HD1 LYS 2 -10.261 31.552 -1.371 14 HE2 LYS 2 HE2 LYS 2 -11.083 30.204 0.281 15 HE3 LYS 2 HE1 LYS 2 -10.322 31.143 1.566 16 HZ1 LYS 2 HZ1 LYS 2 -12.125 32.413 1.808 17 HZ2 LYS 2 HZ2 LYS 2 -12.950 31.191 0.962 18 HZ3 LYS 2 HZ3 LYS 2 -12.379 32.563 0.138 19 H GLU 3 H GLU 3 -5.271 35.166 -1.674 20 HA GLU 3 HA GLU 3 -6.942 34.893 -4.138 21 HB2 GLU 3 HB2 GLU 3 -6.296 37.128 -4.721 22 HB3 GLU 3 HB1 GLU 3 -6.752 37.174 -3.017 23 HG2 GLU 3 HG2 GLU 3 -4.213 36.691 -2.592 24 HG3 GLU 3 HG1 GLU 3 -4.008 37.290 -4.238 25 H CYS 4 H CYS 4 -4.489 33.308 -3.112 26 HA CYS 4 HA CYS 4 -2.724 33.819 -5.465 27 HB2 CYS 4 HB2 CYS 4 -2.145 32.389 -2.856 28 HB3 CYS 4 HB1 CYS 4 -1.010 32.515 -4.197 29 H ASP 5 H ASP 5 -3.322 32.489 -7.110 30 HA ASP 5 HA ASP 5 -4.312 29.763 -6.474 31 HB2 ASP 5 HB2 ASP 5 -5.450 31.369 -8.151 32 HB3 ASP 5 HB1 ASP 5 -4.107 30.984 -9.227 33 H CYS 6 H CYS 6 -1.440 31.351 -7.325 34 HA CYS 6 HA CYS 6 -0.276 28.771 -8.294 35 HB2 CYS 6 HB2 CYS 6 1.248 30.006 -9.685 36 HB3 CYS 6 HB1 CYS 6 -0.364 30.647 -10.004 37 H SER 7 H SER 7 2.201 28.763 -7.843 38 HA SER 7 HA SER 7 2.761 30.107 -5.235 39 HB2 SER 7 HB2 SER 7 3.101 27.196 -5.960 40 HB3 SER 7 HB1 SER 7 4.025 27.937 -4.657 41 HG SER 7 HG SER 7 1.769 26.921 -4.315 42 H SER 8 H SER 8 3.594 30.261 -8.262 43 HA SER 8 HA SER 8 6.526 30.359 -7.686 44 HB2 SER 8 HB2 SER 8 5.552 30.010 -10.489 45 HB3 SER 8 HB1 SER 8 7.036 29.429 -9.740 46 HG SER 8 HG SER 8 5.874 27.833 -8.724 47 HA PRO 9 HA PRO 9 5.993 34.610 -8.808 48 HB2 PRO 9 HB2 PRO 9 8.663 35.263 -8.815 49 HB3 PRO 9 HB1 PRO 9 7.709 35.064 -7.335 50 HG2 PRO 9 HG2 PRO 9 9.748 33.236 -8.512 51 HG3 PRO 9 HG1 PRO 9 9.244 33.415 -6.823 52 HD2 PRO 9 HD2 PRO 9 8.439 31.350 -8.590 53 HD3 PRO 9 HD1 PRO 9 7.709 31.723 -7.013 54 H GLU 10 H GLU 10 7.059 32.200 -10.794 55 HA GLU 10 HA GLU 10 7.649 34.113 -13.019 56 HB2 GLU 10 HB2 GLU 10 8.622 31.251 -12.855 57 HB3 GLU 10 HB1 GLU 10 9.148 32.508 -13.977 58 HG2 GLU 10 HG2 GLU 10 10.295 33.700 -12.287 59 HG3 GLU 10 HG1 GLU 10 9.458 32.840 -10.994 60 H ASN 11 H ASN 11 5.012 33.191 -12.228 61 HA ASN 11 HA ASN 11 4.311 31.147 -14.244 62 HB2 ASN 11 HB2 ASN 11 3.323 31.296 -11.859 63 HB3 ASN 11 HB1 ASN 11 2.369 32.638 -12.486 64 HD21 ASN 11 1HD2 ASN 11 2.863 29.139 -12.699 65 HD22 ASN 11 2HD2 ASN 11 1.467 28.818 -13.609 66 HA PRO 12 HA PRO 12 3.217 34.314 -17.139 67 HB2 PRO 12 HB2 PRO 12 2.083 32.646 -19.001 68 HB3 PRO 12 HB1 PRO 12 3.833 32.813 -18.775 69 HG2 PRO 12 HG2 PRO 12 2.046 30.567 -17.977 70 HG3 PRO 12 HG1 PRO 12 3.784 30.551 -18.321 71 HD2 PRO 12 HD2 PRO 12 2.579 30.540 -15.745 72 HD3 PRO 12 HD1 PRO 12 4.301 30.791 -16.103 73 H CYS 13 H CYS 13 0.828 31.900 -16.091 74 HA CYS 13 HA CYS 13 -1.398 33.625 -16.976 75 HB2 CYS 13 HB2 CYS 13 -1.074 30.826 -16.104 76 HB3 CYS 13 HB1 CYS 13 -2.567 31.598 -15.569 77 H CYS 14 H CYS 14 -0.092 32.372 -13.888 78 HA CYS 14 HA CYS 14 -2.035 33.889 -12.348 79 HB2 CYS 14 HB2 CYS 14 -1.317 32.622 -10.624 80 HB3 CYS 14 HB1 CYS 14 -0.351 31.754 -11.807 81 H ASP 15 H ASP 15 -1.948 36.025 -11.971 82 HA ASP 15 HA ASP 15 0.354 37.598 -12.778 83 HB2 ASP 15 HB2 ASP 15 -2.386 38.085 -12.045 84 HB3 ASP 15 HB1 ASP 15 -1.342 39.138 -11.091 85 H ALA 16 H ALA 16 2.056 38.230 -11.510 86 HA ALA 16 HA ALA 16 2.440 37.069 -8.915 87 HB1 ALA 16 HB1 ALA 16 4.366 38.786 -8.820 88 HB2 ALA 16 HB2 ALA 16 3.872 39.237 -10.451 89 HB3 ALA 16 HB3 ALA 16 4.414 37.592 -10.118 90 H ALA 17 H ALA 17 1.223 40.206 -9.983 91 HA ALA 17 HA ALA 17 1.374 41.597 -7.514 92 HB1 ALA 17 HB1 ALA 17 -0.222 43.111 -8.423 93 HB2 ALA 17 HB2 ALA 17 -0.929 41.867 -9.452 94 HB3 ALA 17 HB3 ALA 17 0.675 42.503 -9.815 95 H THR 18 H THR 18 -1.195 39.474 -8.796 96 HA THR 18 HA THR 18 -2.333 39.410 -6.029 97 HB THR 18 HB THR 18 -3.915 40.402 -7.594 98 HG1 THR 18 HG1 THR 18 -5.464 38.483 -7.574 99 HG21 THR 18 3HG2 THR 18 -3.511 37.870 -9.210 100 HG22 THR 18 1HG2 THR 18 -2.962 39.481 -9.666 101 HG23 THR 18 2HG2 THR 18 -4.688 39.133 -9.569 102 H CYS 19 H CYS 19 -0.253 37.695 -7.586 103 HA CYS 19 HA CYS 19 0.169 35.404 -7.992 104 HB2 CYS 19 HB2 CYS 19 -0.385 34.040 -5.879 105 HB3 CYS 19 HB1 CYS 19 0.691 35.418 -5.681 106 H LYS 20 H LYS 20 -2.420 36.315 -9.062 107 HA LYS 20 HA LYS 20 -3.818 33.671 -8.984 108 HB2 LYS 20 HB2 LYS 20 -4.828 36.261 -8.174 109 HB3 LYS 20 HB1 LYS 20 -5.766 35.632 -9.529 110 HG2 LYS 20 HG2 LYS 20 -5.136 33.600 -7.502 111 HG3 LYS 20 HG1 LYS 20 -6.133 34.920 -6.889 112 HD2 LYS 20 HD2 LYS 20 -7.213 34.342 -9.404 113 HD3 LYS 20 HD1 LYS 20 -6.856 32.763 -8.702 114 HE2 LYS 20 HE2 LYS 20 -8.909 33.079 -7.728 115 HE3 LYS 20 HE1 LYS 20 -7.943 33.959 -6.543 116 HZ1 LYS 20 HZ1 LYS 20 -10.005 35.064 -7.670 117 HZ2 LYS 20 HZ2 LYS 20 -8.900 35.385 -8.920 118 HZ3 LYS 20 HZ3 LYS 20 -8.607 35.971 -7.353 119 H LEU 21 H LEU 21 -4.927 33.118 -10.964 120 HA LEU 21 HA LEU 21 -3.574 34.016 -13.347 121 HB2 LEU 21 HB2 LEU 21 -6.225 32.627 -13.482 122 HB3 LEU 21 HB1 LEU 21 -4.786 32.385 -14.468 123 HG LEU 21 HG LEU 21 -3.959 31.766 -11.867 124 HD11 LEU 21 1HD1 LEU 21 -6.005 29.821 -11.928 125 HD12 LEU 21 2HD1 LEU 21 -6.812 31.376 -12.122 126 HD13 LEU 21 3HD1 LEU 21 -5.778 31.088 -10.723 127 HD21 LEU 21 3HD2 LEU 21 -4.804 29.438 -13.394 128 HD22 LEU 21 1HD2 LEU 21 -3.172 29.988 -13.009 129 HD23 LEU 21 2HD2 LEU 21 -4.007 30.627 -14.427 130 H ARG 22 H ARG 22 -3.882 36.021 -14.113 131 HA ARG 22 HA ARG 22 -6.145 37.666 -13.558 132 HB2 ARG 22 HB2 ARG 22 -3.668 38.120 -14.557 133 HB3 ARG 22 HB1 ARG 22 -4.625 38.232 -16.034 134 HG2 ARG 22 HG2 ARG 22 -6.138 39.639 -14.173 135 HG3 ARG 22 HG1 ARG 22 -4.477 40.086 -13.782 136 HD2 ARG 22 HD2 ARG 22 -4.436 40.203 -16.518 137 HD3 ARG 22 HD1 ARG 22 -6.083 40.730 -16.171 138 HE ARG 22 HE ARG 22 -3.766 42.325 -15.774 139 HH11 ARG 22 1HH1 ARG 22 -7.022 42.053 -15.016 140 HH12 ARG 22 2HH1 ARG 22 -6.980 43.132 -13.661 141 HH21 ARG 22 1HH2 ARG 22 -3.523 43.401 -13.643 142 HH22 ARG 22 2HH2 ARG 22 -5.000 43.897 -12.886 143 HA PRO 23 HA PRO 23 -7.628 36.627 -17.982 144 HB2 PRO 23 HB2 PRO 23 -6.464 34.465 -19.225 145 HB3 PRO 23 HB1 PRO 23 -5.886 36.132 -19.394 146 HG2 PRO 23 HG2 PRO 23 -4.713 33.888 -17.818 147 HG3 PRO 23 HG1 PRO 23 -3.913 35.303 -18.524 148 HD2 PRO 23 HD2 PRO 23 -4.598 34.975 -15.805 149 HD3 PRO 23 HD1 PRO 23 -4.120 36.501 -16.578 150 H GLY 24 H GLY 24 -8.986 34.762 -18.956 151 HA2 GLY 24 HA2 GLY 24 -10.378 33.418 -16.834 152 HA3 GLY 24 HA1 GLY 24 -10.639 33.146 -18.557 153 H ALA 25 H ALA 25 -8.026 32.535 -16.186 154 HA ALA 25 HA ALA 25 -7.498 29.949 -17.546 155 HB1 ALA 25 HB1 ALA 25 -5.965 31.772 -15.758 156 HB2 ALA 25 HB2 ALA 25 -5.424 30.874 -17.174 157 HB3 ALA 25 HB3 ALA 25 -5.617 30.049 -15.627 158 H GLN 26 H GLN 26 -6.859 28.156 -15.833 159 HA GLN 26 HA GLN 26 -9.062 28.100 -13.811 160 HB2 GLN 26 HB2 GLN 26 -8.491 26.302 -15.861 161 HB3 GLN 26 HB1 GLN 26 -7.823 25.526 -14.425 162 HG2 GLN 26 HG2 GLN 26 -9.883 25.321 -13.407 163 HG3 GLN 26 HG1 GLN 26 -10.534 26.757 -14.198 164 HE21 GLN 26 1HE2 GLN 26 -10.911 26.502 -16.655 165 HE22 GLN 26 2HE2 GLN 26 -11.422 24.982 -17.210 166 H CYS 27 H CYS 27 -5.766 26.807 -14.368 167 HA CYS 27 HA CYS 27 -5.107 27.500 -11.564 168 HB2 CYS 27 HB2 CYS 27 -5.799 25.254 -11.228 169 HB3 CYS 27 HB1 CYS 27 -5.085 24.717 -12.745 170 H GLY 28 H GLY 28 -2.951 28.058 -11.326 171 HA2 GLY 28 HA2 GLY 28 -1.321 28.003 -13.823 172 HA3 GLY 28 HA1 GLY 28 -1.110 29.161 -12.511 173 H GLU 29 H GLU 29 -1.382 26.985 -10.463 174 HA GLU 29 HA GLU 29 1.164 25.508 -10.972 175 HB2 GLU 29 HB2 GLU 29 1.382 27.619 -9.477 176 HB3 GLU 29 HB1 GLU 29 0.523 26.668 -8.264 177 HG2 GLU 29 HG2 GLU 29 2.819 25.354 -9.639 178 HG3 GLU 29 HG1 GLU 29 3.198 26.619 -8.468 179 H GLY 30 H GLY 30 1.262 23.455 -10.005 180 HA2 GLY 30 HA2 GLY 30 -0.074 22.231 -8.003 181 HA3 GLY 30 HA1 GLY 30 -1.349 22.324 -9.221 182 H LEU 31 H LEU 31 -1.315 19.955 -9.377 183 HA LEU 31 HA LEU 31 1.071 18.981 -10.882 184 HB2 LEU 31 HB2 LEU 31 0.099 16.657 -10.050 185 HB3 LEU 31 HB1 LEU 31 1.201 17.591 -9.055 186 HG LEU 31 HG LEU 31 -1.000 18.691 -8.148 187 HD11 LEU 31 1HD1 LEU 31 -2.520 17.605 -9.718 188 HD12 LEU 31 2HD1 LEU 31 -2.827 16.966 -8.107 189 HD13 LEU 31 3HD1 LEU 31 -1.901 16.019 -9.266 190 HD21 LEU 31 3HD2 LEU 31 -0.781 17.234 -6.308 191 HD22 LEU 31 1HD2 LEU 31 0.786 17.124 -7.095 192 HD23 LEU 31 2HD2 LEU 31 -0.407 15.854 -7.332 193 H CYS 32 H CYS 32 -1.787 20.115 -11.512 194 HA CYS 32 HA CYS 32 -2.178 18.345 -13.823 195 HB2 CYS 32 HB2 CYS 32 -4.152 18.553 -11.557 196 HB3 CYS 32 HB1 CYS 32 -4.710 18.237 -13.202 197 H CYS 33 H CYS 33 -1.351 21.044 -13.583 198 HA CYS 33 HA CYS 33 -3.724 22.490 -14.696 199 HB2 CYS 33 HB2 CYS 33 -1.272 23.810 -13.519 200 HB3 CYS 33 HB1 CYS 33 -2.850 24.530 -13.834 201 H GLU 34 H GLU 34 -3.391 22.035 -16.891 202 HA GLU 34 HA GLU 34 -0.733 22.830 -18.006 203 HB2 GLU 34 HB2 GLU 34 -2.631 20.641 -18.648 204 HB3 GLU 34 HB1 GLU 34 -1.902 21.452 -20.035 205 HG2 GLU 34 HG2 GLU 34 0.338 21.163 -18.761 206 HG3 GLU 34 HG1 GLU 34 -0.534 19.972 -17.795 207 H GLN 35 H GLN 35 -0.714 24.475 -19.504 208 HA GLN 35 HA GLN 35 -1.536 26.250 -20.798 209 HB2 GLN 35 HB2 GLN 35 -3.476 24.035 -21.227 210 HB3 GLN 35 HB1 GLN 35 -4.026 25.652 -21.670 211 HG2 GLN 35 HG2 GLN 35 -2.978 25.102 -23.643 212 HG3 GLN 35 HG1 GLN 35 -1.582 25.743 -22.775 213 HE21 GLN 35 1HE2 GLN 35 0.111 24.286 -22.252 214 HE22 GLN 35 2HE2 GLN 35 0.067 22.628 -22.610 215 H CYS 36 H CYS 36 -1.985 26.157 -17.910 216 HA CYS 36 HA CYS 36 -3.118 27.444 -16.308 217 HB2 CYS 36 HB2 CYS 36 -4.543 28.731 -18.651 218 HB3 CYS 36 HB1 CYS 36 -4.283 29.411 -17.041 219 H LYS 37 H LYS 37 -4.215 24.912 -17.535 220 HA LYS 37 HA LYS 37 -6.943 25.202 -16.410 221 HB2 LYS 37 HB2 LYS 37 -6.270 24.581 -19.240 222 HB3 LYS 37 HB1 LYS 37 -7.538 23.602 -18.502 223 HG2 LYS 37 HG2 LYS 37 -8.863 25.520 -17.993 224 HG3 LYS 37 HG1 LYS 37 -7.528 26.621 -18.334 225 HD2 LYS 37 HD2 LYS 37 -8.271 26.782 -20.452 226 HD3 LYS 37 HD1 LYS 37 -7.871 25.078 -20.673 227 HE2 LYS 37 HE2 LYS 37 -10.424 25.701 -19.266 228 HE3 LYS 37 HE1 LYS 37 -10.367 26.001 -21.004 229 HZ1 LYS 37 HZ1 LYS 37 -9.270 23.472 -20.060 230 HZ2 LYS 37 HZ2 LYS 37 -10.145 23.817 -21.475 231 HZ3 LYS 37 HZ3 LYS 37 -10.955 23.642 -19.991 232 H PHE 38 H PHE 38 -7.959 22.941 -16.185 233 HA PHE 38 HA PHE 38 -6.094 21.235 -14.802 234 HB2 PHE 38 HB2 PHE 38 -8.927 20.693 -15.742 235 HB3 PHE 38 HB1 PHE 38 -8.020 19.674 -14.624 236 HD1 PHE 38 HD2 PHE 38 -6.578 21.782 -13.060 237 HD2 PHE 38 HD1 PHE 38 -10.664 21.541 -14.364 238 HE1 PHE 38 HE2 PHE 38 -7.267 23.237 -11.172 239 HE2 PHE 38 HE1 PHE 38 -11.352 22.994 -12.478 240 HZ PHE 38 HZ PHE 38 -9.654 23.843 -10.882 241 H SER 39 H SER 39 -4.817 19.659 -15.640 242 HA SER 39 HA SER 39 -4.469 19.200 -18.386 243 HB2 SER 39 HB2 SER 39 -3.841 17.539 -15.956 244 HB3 SER 39 HB1 SER 39 -3.509 16.922 -17.572 245 HG SER 39 HG SER 39 -2.284 18.837 -17.936 246 H ARG 40 H ARG 40 -5.368 16.309 -16.669 247 HA ARG 40 HA ARG 40 -7.883 16.113 -18.245 248 HB2 ARG 40 HB2 ARG 40 -5.519 14.788 -18.966 249 HB3 ARG 40 HB1 ARG 40 -6.490 13.565 -18.146 250 HG2 ARG 40 HG2 ARG 40 -7.270 13.404 -20.343 251 HG3 ARG 40 HG1 ARG 40 -8.440 14.507 -19.619 252 HD2 ARG 40 HD2 ARG 40 -6.216 16.055 -20.524 253 HD3 ARG 40 HD1 ARG 40 -6.709 14.990 -21.840 254 HE ARG 40 HE ARG 40 -9.042 16.182 -20.701 255 HH11 ARG 40 1HH1 ARG 40 -6.350 17.954 -21.381 256 HH12 ARG 40 2HH1 ARG 40 -7.011 18.825 -22.725 257 HH21 ARG 40 1HH2 ARG 40 -9.858 16.859 -22.940 258 HH22 ARG 40 2HH2 ARG 40 -8.997 18.205 -23.607 259 H ALA 41 H ALA 41 -9.232 14.241 -17.442 260 HA ALA 41 HA ALA 41 -9.192 14.222 -14.513 261 HB1 ALA 41 HB1 ALA 41 -11.030 12.461 -16.087 262 HB2 ALA 41 HB2 ALA 41 -11.248 14.207 -16.209 263 HB3 ALA 41 HB3 ALA 41 -11.357 13.413 -14.639 264 H GLY 42 H GLY 42 -8.915 12.327 -13.228 265 HA2 GLY 42 HA2 GLY 42 -8.089 10.185 -12.710 266 HA3 GLY 42 HA1 GLY 42 -8.295 9.752 -14.406 267 H LYS 43 H LYS 43 -6.474 12.601 -13.607 268 HA LYS 43 HA LYS 43 -4.097 11.463 -14.872 269 HB2 LYS 43 HB2 LYS 43 -4.303 13.732 -15.368 270 HB3 LYS 43 HB1 LYS 43 -4.855 14.141 -13.751 271 HG2 LYS 43 HG2 LYS 43 -2.544 14.942 -14.182 272 HG3 LYS 43 HG1 LYS 43 -2.608 13.785 -12.855 273 HD2 LYS 43 HD2 LYS 43 -1.227 12.380 -13.943 274 HD3 LYS 43 HD1 LYS 43 -2.284 12.380 -15.356 275 HE2 LYS 43 HE2 LYS 43 -1.260 14.570 -16.041 276 HE3 LYS 43 HE1 LYS 43 -0.111 14.392 -14.715 277 HZ1 LYS 43 HZ1 LYS 43 0.109 13.343 -17.251 278 HZ2 LYS 43 HZ2 LYS 43 -0.260 12.015 -16.256 279 HZ3 LYS 43 HZ3 LYS 43 1.089 12.988 -15.912 280 H ILE 44 H ILE 44 -2.723 10.194 -13.770 281 HA ILE 44 HA ILE 44 -2.821 9.731 -10.977 282 HB ILE 44 HB ILE 44 -0.611 9.268 -12.985 283 HG12 ILE 44 2HG1 ILE 44 -2.854 8.086 -13.234 284 HG13 ILE 44 1HG1 ILE 44 -1.456 7.024 -13.078 285 HG21 ILE 44 1HG2 ILE 44 0.510 9.244 -10.904 286 HG22 ILE 44 2HG2 ILE 44 0.107 7.551 -11.187 287 HG23 ILE 44 3HG2 ILE 44 -0.865 8.514 -10.075 288 HD11 ILE 44 3HD1 ILE 44 -2.471 7.707 -10.461 289 HD12 ILE 44 1HD1 ILE 44 -2.289 6.114 -11.197 290 HD13 ILE 44 2HD1 ILE 44 -3.765 7.043 -11.458 291 H CYS 45 H CYS 45 -2.217 11.038 -9.354 292 HA CYS 45 HA CYS 45 -0.078 13.070 -9.855 293 HB2 CYS 45 HB2 CYS 45 -1.037 14.209 -7.844 294 HB3 CYS 45 HB1 CYS 45 -2.145 14.132 -9.213 295 H ARG 46 H ARG 46 -1.131 10.415 -7.824 296 HA ARG 46 HA ARG 46 1.595 10.239 -6.701 297 HB2 ARG 46 HB2 ARG 46 -0.866 10.409 -4.931 298 HB3 ARG 46 HB1 ARG 46 0.781 10.100 -4.381 299 HG2 ARG 46 HG2 ARG 46 1.494 12.296 -5.216 300 HG3 ARG 46 HG1 ARG 46 -0.133 12.606 -5.823 301 HD2 ARG 46 HD2 ARG 46 -1.008 12.946 -3.715 302 HD3 ARG 46 HD1 ARG 46 0.145 11.855 -2.947 303 HE ARG 46 HE ARG 46 1.739 13.938 -3.778 304 HH11 ARG 46 1HH1 ARG 46 -1.319 14.908 -3.184 305 HH12 ARG 46 2HH1 ARG 46 -0.994 15.789 -1.729 306 HH21 ARG 46 1HH2 ARG 46 2.228 14.548 -1.386 307 HH22 ARG 46 2HH2 ARG 46 1.018 15.585 -0.709 308 H ILE 47 H ILE 47 2.089 8.112 -6.012 309 HA ILE 47 HA ILE 47 -0.060 6.102 -6.509 310 HB ILE 47 HB ILE 47 2.398 6.455 -7.925 311 HG12 ILE 47 2HG1 ILE 47 0.200 4.377 -7.932 312 HG13 ILE 47 1HG1 ILE 47 0.398 5.748 -9.024 313 HG21 ILE 47 1HG2 ILE 47 3.340 4.147 -7.683 314 HG22 ILE 47 2HG2 ILE 47 2.273 3.893 -6.301 315 HG23 ILE 47 3HG2 ILE 47 3.535 5.123 -6.226 316 HD11 ILE 47 3HD1 ILE 47 2.033 3.213 -8.895 317 HD12 ILE 47 1HD1 ILE 47 2.638 4.664 -9.695 318 HD13 ILE 47 2HD1 ILE 47 1.165 3.886 -10.276 319 HA PRO 48 HA PRO 48 1.243 5.072 -2.362 320 HB2 PRO 48 HB2 PRO 48 -0.803 3.290 -1.904 321 HB3 PRO 48 HB1 PRO 48 -0.988 5.047 -1.760 322 HG2 PRO 48 HG2 PRO 48 -1.985 3.227 -3.894 323 HG3 PRO 48 HG1 PRO 48 -2.595 4.814 -3.398 324 HD2 PRO 48 HD2 PRO 48 -0.980 4.262 -5.670 325 HD3 PRO 48 HD1 PRO 48 -1.384 5.870 -5.029 326 H ARG 49 H ARG 49 0.826 2.456 -1.413 327 HA ARG 49 HA ARG 49 2.053 0.639 -3.410 328 HB2 ARG 49 HB2 ARG 49 3.301 1.523 -0.808 329 HB3 ARG 49 HB1 ARG 49 3.657 -0.072 -1.474 330 HG2 ARG 49 HG2 ARG 49 3.970 2.516 -3.022 331 HG3 ARG 49 HG1 ARG 49 5.292 1.699 -2.187 332 HD2 ARG 49 HD2 ARG 49 3.720 -0.072 -3.934 333 HD3 ARG 49 HD1 ARG 49 4.555 1.221 -4.795 334 HE ARG 49 HE ARG 49 6.662 0.318 -4.027 335 HH11 ARG 49 1HH1 ARG 49 4.172 -1.882 -4.211 336 HH12 ARG 49 2HH1 ARG 49 4.902 -3.080 -3.195 337 HH21 ARG 49 1HH2 ARG 49 7.487 -1.011 -2.165 338 HH22 ARG 49 2HH2 ARG 49 6.779 -2.586 -2.033 339 H LEU 50 H LEU 50 -0.544 0.630 -2.488 340 HA LEU 50 HA LEU 50 -0.584 -1.784 -0.727 341 HB2 LEU 50 HB2 LEU 50 -3.021 -0.651 -0.249 342 HB3 LEU 50 HB1 LEU 50 -1.609 -0.393 0.772 343 HG LEU 50 HG LEU 50 -1.044 1.637 -0.521 344 HD11 LEU 50 1HD1 LEU 50 -1.897 1.926 -2.579 345 HD12 LEU 50 2HD1 LEU 50 -3.508 2.082 -1.883 346 HD13 LEU 50 3HD1 LEU 50 -2.909 0.500 -2.374 347 HD21 LEU 50 3HD2 LEU 50 -3.052 1.347 1.340 348 HD22 LEU 50 1HD2 LEU 50 -3.881 2.189 0.030 349 HD23 LEU 50 2HD2 LEU 50 -2.437 2.895 0.757 350 H ASP 51 H ASP 51 -3.286 -2.362 -0.927 351 HA ASP 51 HA ASP 51 -3.444 -3.287 -3.715 352 HB2 ASP 51 HB2 ASP 51 -4.030 -4.764 -1.760 353 HB3 ASP 51 HB1 ASP 51 -5.416 -3.717 -1.450 354 H MET 52 H MET 52 -4.387 -0.539 -2.037 355 HA MET 52 HA MET 52 -6.975 -0.103 -3.282 356 HB2 MET 52 HB2 MET 52 -5.217 1.301 -1.424 357 HB3 MET 52 HB1 MET 52 -5.943 2.400 -2.597 358 HG2 MET 52 HG2 MET 52 -7.716 2.372 -1.164 359 HG3 MET 52 HG1 MET 52 -8.092 0.842 -1.959 360 HE1 MET 52 HE1 MET 52 -7.673 -1.531 -0.951 361 HE2 MET 52 HE2 MET 52 -9.118 -0.616 -0.525 362 HE3 MET 52 HE3 MET 52 -8.275 -1.544 0.712 363 HA PRO 53 HA PRO 53 -5.754 1.698 -7.088 364 HB2 PRO 53 HB2 PRO 53 -7.457 3.847 -7.293 365 HB3 PRO 53 HB1 PRO 53 -7.970 2.164 -7.501 366 HG2 PRO 53 HG2 PRO 53 -8.434 3.996 -5.195 367 HG3 PRO 53 HG1 PRO 53 -9.393 2.608 -5.737 368 HD2 PRO 53 HD2 PRO 53 -7.586 2.623 -3.558 369 HD3 PRO 53 HD1 PRO 53 -8.294 1.182 -4.320 370 H ASP 54 H ASP 54 -4.552 3.440 -8.067 371 HA ASP 54 HA ASP 54 -2.932 4.983 -6.222 372 HB2 ASP 54 HB2 ASP 54 -3.172 5.328 -9.224 373 HB3 ASP 54 HB1 ASP 54 -1.821 5.819 -8.202 374 H ASP 55 H ASP 55 -2.727 7.416 -6.472 375 HA ASP 55 HA ASP 55 -5.429 8.604 -6.407 376 HB2 ASP 55 HB2 ASP 55 -2.680 9.497 -5.580 377 HB3 ASP 55 HB1 ASP 55 -3.950 10.698 -5.817 378 H ARG 56 H ARG 56 -6.201 10.016 -7.964 379 HA ARG 56 HA ARG 56 -4.314 10.971 -10.049 380 HB2 ARG 56 HB2 ARG 56 -6.907 10.027 -11.108 381 HB3 ARG 56 HB1 ARG 56 -5.292 9.881 -11.797 382 HG2 ARG 56 HG2 ARG 56 -4.776 8.037 -10.265 383 HG3 ARG 56 HG1 ARG 56 -6.356 8.208 -9.501 384 HD2 ARG 56 HD2 ARG 56 -6.306 7.854 -12.461 385 HD3 ARG 56 HD1 ARG 56 -5.932 6.443 -11.472 386 HE ARG 56 HE ARG 56 -8.536 7.817 -11.611 387 HH11 ARG 56 1HH1 ARG 56 -7.013 4.906 -11.159 388 HH12 ARG 56 2HH1 ARG 56 -8.026 4.352 -9.869 389 HH21 ARG 56 1HH2 ARG 56 -9.611 7.409 -9.450 390 HH22 ARG 56 2HH2 ARG 56 -9.501 5.769 -8.902 391 H CYS 57 H CYS 57 -5.139 12.847 -11.209 392 HA CYS 57 HA CYS 57 -6.798 14.569 -9.582 393 HB2 CYS 57 HB2 CYS 57 -5.894 14.843 -12.463 394 HB3 CYS 57 HB1 CYS 57 -6.701 16.111 -11.552 395 H THR 58 H THR 58 -8.903 15.464 -10.252 396 HA THR 58 HA THR 58 -10.516 13.414 -11.688 397 HB THR 58 HB THR 58 -11.589 13.710 -9.654 398 HG1 THR 58 HG1 THR 58 -12.844 14.520 -11.578 399 HG21 THR 58 3HG2 THR 58 -10.081 15.398 -8.761 400 HG22 THR 58 1HG2 THR 58 -11.745 15.928 -8.516 401 HG23 THR 58 2HG2 THR 58 -10.780 16.625 -9.818 402 H GLY 59 H GLY 59 -8.870 15.945 -12.637 403 HA2 GLY 59 HA2 GLY 59 -9.113 17.154 -14.672 404 HA3 GLY 59 HA1 GLY 59 -10.790 16.615 -14.760 405 H GLN 60 H GLN 60 -10.756 17.583 -11.735 406 HA GLN 60 HA GLN 60 -11.244 20.457 -12.399 407 HB2 GLN 60 HB2 GLN 60 -12.817 20.110 -10.235 408 HB3 GLN 60 HB1 GLN 60 -13.399 19.849 -11.877 409 HG2 GLN 60 HG2 GLN 60 -12.656 17.420 -11.619 410 HG3 GLN 60 HG1 GLN 60 -12.440 17.766 -9.902 411 HE21 GLN 60 1HE2 GLN 60 -14.263 17.351 -8.658 412 HE22 GLN 60 2HE2 GLN 60 -15.861 17.366 -9.230 413 H SER 61 H SER 61 -9.463 18.242 -10.546 414 HA SER 61 HA SER 61 -8.918 20.263 -8.422 415 HB2 SER 61 HB2 SER 61 -7.474 18.147 -7.629 416 HB3 SER 61 HB1 SER 61 -9.194 18.287 -7.276 417 HG SER 61 HG SER 61 -8.324 16.278 -8.341 418 H ALA 62 H ALA 62 -7.326 21.663 -9.065 419 HA ALA 62 HA ALA 62 -5.317 21.075 -11.015 420 HB1 ALA 62 HB1 ALA 62 -5.851 23.237 -9.060 421 HB2 ALA 62 HB2 ALA 62 -5.389 23.346 -10.759 422 HB3 ALA 62 HB3 ALA 62 -4.162 23.046 -9.529 423 H ASP 63 H ASP 63 -4.978 21.380 -7.454 424 HA ASP 63 HA ASP 63 -2.376 20.038 -7.541 425 HB2 ASP 63 HB2 ASP 63 -3.915 20.379 -4.992 426 HB3 ASP 63 HB1 ASP 63 -2.189 20.587 -5.292 427 H CYS 64 H CYS 64 -2.201 18.116 -5.801 428 HA CYS 64 HA CYS 64 -4.348 16.216 -6.583 429 HB2 CYS 64 HB2 CYS 64 -2.195 15.437 -7.265 430 HB3 CYS 64 HB1 CYS 64 -1.519 15.685 -5.665 431 HA PRO 65 HA PRO 65 -5.606 16.530 -2.347 432 HB2 PRO 65 HB2 PRO 65 -7.919 15.127 -2.759 433 HB3 PRO 65 HB1 PRO 65 -7.752 16.845 -3.124 434 HG2 PRO 65 HG2 PRO 65 -7.883 14.516 -4.969 435 HG3 PRO 65 HG1 PRO 65 -8.284 16.214 -5.277 436 HD2 PRO 65 HD2 PRO 65 -5.910 14.888 -6.065 437 HD3 PRO 65 HD1 PRO 65 -6.200 16.640 -6.104 438 H ARG 66 H ARG 66 -7.078 14.427 -1.196 439 HA ARG 66 HA ARG 66 -5.489 11.960 -1.631 440 HB2 ARG 66 HB2 ARG 66 -5.199 11.812 0.910 441 HB3 ARG 66 HB1 ARG 66 -4.185 12.995 0.082 442 HG2 ARG 66 HG2 ARG 66 -5.359 14.799 0.923 443 HG3 ARG 66 HG1 ARG 66 -6.866 13.891 1.050 444 HD2 ARG 66 HD2 ARG 66 -6.117 12.748 3.019 445 HD3 ARG 66 HD1 ARG 66 -4.466 13.334 2.808 446 HE ARG 66 HE ARG 66 -6.774 15.057 3.610 447 HH11 ARG 66 1HH2 ARG 66 -4.627 16.661 2.425 448 HH12 ARG 66 2HH2 ARG 66 -3.586 16.994 3.768 449 HH21 ARG 66 1HH1 ARG 66 -4.911 14.484 5.759 450 HH22 ARG 66 2HH1 ARG 66 -3.747 15.763 5.655 451 H TYR 67 H TYR 67 -6.641 10.087 -1.068 452 HA TYR 67 HA TYR 67 -9.522 10.511 -0.553 453 HB2 TYR 67 HB2 TYR 67 -7.969 8.595 -1.998 454 HB3 TYR 67 HB1 TYR 67 -8.854 7.738 -0.735 455 HD1 TYR 67 HD2 TYR 67 -9.172 9.921 -3.702 456 HD2 TYR 67 HD1 TYR 67 -11.270 7.626 -0.740 457 HE1 TYR 67 HE2 TYR 67 -11.261 10.122 -5.026 458 HE2 TYR 67 HE1 TYR 67 -13.358 7.825 -2.062 459 HH TYR 67 HH TYR 67 -13.555 8.471 -5.093 460 H HIS 68 H HIS 68 -6.925 10.332 1.387 461 HA HIS 68 HA HIS 68 -8.523 9.290 3.627 462 HB2 HIS 68 HB2 HIS 68 -6.583 7.646 2.289 463 HB3 HIS 68 HB1 HIS 68 -5.991 8.025 3.907 464 HD1 HIS 68 HD1 HIS 68 -8.918 8.236 5.182 465 HD2 HIS 68 HD2 HIS 68 -7.438 5.027 2.970 466 HE1 HIS 68 HE1 HIS 68 -10.297 6.216 5.840 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -14.513 33.578 -0.910 2 H2 GLY 1 HT2 GLY 1 -14.854 33.550 -2.574 3 H3 GLY 1 HT3 GLY 1 -15.619 34.682 -1.566 4 HA2 GLY 1 HA1 GLY 1 -13.659 35.456 -3.014 5 HA3 GLY 1 HA2 GLY 1 -13.744 35.979 -1.330 6 H LYS 2 H LYS 2 -11.686 34.693 -3.581 7 HA LYS 2 HA LYS 2 -10.048 33.343 -1.469 8 HB2 LYS 2 HB2 LYS 2 -9.893 32.875 -4.461 9 HB3 LYS 2 HB1 LYS 2 -9.089 31.947 -3.193 10 HG2 LYS 2 HG2 LYS 2 -12.067 32.199 -3.080 11 HG3 LYS 2 HG1 LYS 2 -11.370 31.099 -4.269 12 HD2 LYS 2 HD2 LYS 2 -9.915 30.313 -2.193 13 HD3 LYS 2 HD1 LYS 2 -11.276 30.966 -1.281 14 HE2 LYS 2 HE2 LYS 2 -12.632 29.256 -1.878 15 HE3 LYS 2 HE1 LYS 2 -12.119 29.333 -3.563 16 HZ1 LYS 2 HZ1 LYS 2 -10.700 27.998 -1.324 17 HZ2 LYS 2 HZ2 LYS 2 -10.046 28.199 -2.880 18 HZ3 LYS 2 HZ3 LYS 2 -11.438 27.251 -2.656 19 H GLU 3 H GLU 3 -7.599 33.319 -2.677 20 HA GLU 3 HA GLU 3 -6.854 35.744 -3.992 21 HB2 GLU 3 HB2 GLU 3 -5.687 36.823 -2.030 22 HB3 GLU 3 HB1 GLU 3 -7.448 36.882 -1.951 23 HG2 GLU 3 HG2 GLU 3 -6.912 34.478 -0.729 24 HG3 GLU 3 HG1 GLU 3 -5.541 35.462 -0.212 25 H CYS 4 H CYS 4 -5.860 33.219 -1.736 26 HA CYS 4 HA CYS 4 -3.095 33.342 -2.744 27 HB2 CYS 4 HB2 CYS 4 -4.445 31.560 -0.701 28 HB3 CYS 4 HB1 CYS 4 -2.751 31.402 -1.160 29 H ASP 5 H ASP 5 -2.899 32.522 -4.781 30 HA ASP 5 HA ASP 5 -4.491 30.207 -5.633 31 HB2 ASP 5 HB2 ASP 5 -3.287 32.342 -6.951 32 HB3 ASP 5 HB1 ASP 5 -2.266 30.966 -7.374 33 H CYS 6 H CYS 6 -1.384 30.814 -4.241 34 HA CYS 6 HA CYS 6 -0.771 27.908 -4.487 35 HB2 CYS 6 HB2 CYS 6 1.522 28.323 -5.047 36 HB3 CYS 6 HB1 CYS 6 0.563 29.307 -6.152 37 H SER 7 H SER 7 1.009 27.315 -2.847 38 HA SER 7 HA SER 7 0.788 29.048 -0.421 39 HB2 SER 7 HB2 SER 7 -0.528 26.695 -0.614 40 HB3 SER 7 HB1 SER 7 1.029 26.109 -0.034 41 HG SER 7 HG SER 7 0.743 27.986 1.526 42 H SER 8 H SER 8 2.909 28.656 -2.534 43 HA SER 8 HA SER 8 5.074 27.520 -0.827 44 HB2 SER 8 HB2 SER 8 4.519 26.957 -3.422 45 HB3 SER 8 HB1 SER 8 5.655 28.286 -3.632 46 HG SER 8 HG SER 8 6.684 26.229 -3.481 47 HA PRO 9 HA PRO 9 6.283 31.784 -0.294 48 HB2 PRO 9 HB2 PRO 9 8.396 31.243 1.377 49 HB3 PRO 9 HB1 PRO 9 6.706 31.258 1.911 50 HG2 PRO 9 HG2 PRO 9 8.503 28.927 1.441 51 HG3 PRO 9 HG1 PRO 9 7.095 29.061 2.506 52 HD2 PRO 9 HD2 PRO 9 7.151 27.808 -0.039 53 HD3 PRO 9 HD1 PRO 9 5.700 28.207 0.903 54 H GLU 10 H GLU 10 7.682 29.528 -2.205 55 HA GLU 10 HA GLU 10 9.880 31.386 -2.976 56 HB2 GLU 10 HB2 GLU 10 10.431 29.094 -1.608 57 HB3 GLU 10 HB1 GLU 10 10.478 28.501 -3.269 58 HG2 GLU 10 HG2 GLU 10 12.621 29.272 -3.233 59 HG3 GLU 10 HG1 GLU 10 11.864 30.839 -3.521 60 H ASN 11 H ASN 11 7.493 31.372 -4.293 61 HA ASN 11 HA ASN 11 8.109 29.842 -6.787 62 HB2 ASN 11 HB2 ASN 11 5.855 29.569 -5.182 63 HB3 ASN 11 HB1 ASN 11 5.312 30.642 -6.470 64 HD21 ASN 11 1HD2 ASN 11 4.491 27.830 -6.128 65 HD22 ASN 11 2HD2 ASN 11 5.008 27.002 -7.516 66 HA PRO 12 HA PRO 12 8.239 34.003 -8.385 67 HB2 PRO 12 HB2 PRO 12 8.848 33.281 -10.967 68 HB3 PRO 12 HB1 PRO 12 10.040 33.335 -9.657 69 HG2 PRO 12 HG2 PRO 12 8.767 30.963 -10.941 70 HG3 PRO 12 HG1 PRO 12 10.336 31.092 -10.131 71 HD2 PRO 12 HD2 PRO 12 7.986 29.979 -9.019 72 HD3 PRO 12 HD1 PRO 12 9.457 30.416 -8.125 73 H CYS 13 H CYS 13 6.424 31.389 -9.974 74 HA CYS 13 HA CYS 13 4.848 33.003 -11.712 75 HB2 CYS 13 HB2 CYS 13 4.729 30.266 -10.630 76 HB3 CYS 13 HB1 CYS 13 3.154 30.954 -11.020 77 H CYS 14 H CYS 14 4.350 32.058 -8.315 78 HA CYS 14 HA CYS 14 2.121 34.038 -8.247 79 HB2 CYS 14 HB2 CYS 14 1.126 32.746 -6.435 80 HB3 CYS 14 HB1 CYS 14 1.391 31.699 -7.829 81 H ASP 15 H ASP 15 2.540 35.812 -7.126 82 HA ASP 15 HA ASP 15 4.945 36.217 -5.645 83 HB2 ASP 15 HB2 ASP 15 2.443 37.706 -6.135 84 HB3 ASP 15 HB1 ASP 15 3.232 38.091 -4.606 85 H ALA 16 H ALA 16 5.467 35.590 -3.606 86 HA ALA 16 HA ALA 16 3.769 33.942 -2.026 87 HB1 ALA 16 HB1 ALA 16 5.538 33.821 -0.550 88 HB2 ALA 16 HB2 ALA 16 5.894 35.544 -0.672 89 HB3 ALA 16 HB3 ALA 16 6.398 34.446 -1.957 90 H ALA 17 H ALA 17 4.493 37.423 -1.814 91 HA ALA 17 HA ALA 17 3.098 38.005 0.568 92 HB1 ALA 17 HB1 ALA 17 2.940 39.848 -1.806 93 HB2 ALA 17 HB2 ALA 17 4.489 39.556 -1.017 94 HB3 ALA 17 HB3 ALA 17 3.153 40.252 -0.102 95 H THR 18 H THR 18 1.778 38.457 -2.738 96 HA THR 18 HA THR 18 -0.950 38.406 -1.653 97 HB THR 18 HB THR 18 -0.352 39.922 -3.525 98 HG1 THR 18 HG1 THR 18 -2.370 39.648 -3.960 99 HG21 THR 18 3HG2 THR 18 0.795 37.487 -4.556 100 HG22 THR 18 1HG2 THR 18 0.970 39.133 -5.162 101 HG23 THR 18 2HG2 THR 18 -0.374 38.131 -5.710 102 H CYS 19 H CYS 19 1.192 36.019 -2.175 103 HA CYS 19 HA CYS 19 1.066 33.779 -2.911 104 HB2 CYS 19 HB2 CYS 19 -0.997 32.643 -1.859 105 HB3 CYS 19 HB1 CYS 19 0.115 33.460 -0.767 106 H LYS 20 H LYS 20 0.125 35.633 -4.916 107 HA LYS 20 HA LYS 20 -1.853 33.849 -6.281 108 HB2 LYS 20 HB2 LYS 20 -2.241 36.559 -5.467 109 HB3 LYS 20 HB1 LYS 20 -2.154 36.531 -7.227 110 HG2 LYS 20 HG2 LYS 20 -3.750 34.336 -6.101 111 HG3 LYS 20 HG1 LYS 20 -4.404 35.935 -5.747 112 HD2 LYS 20 HD2 LYS 20 -3.538 35.931 -8.468 113 HD3 LYS 20 HD1 LYS 20 -4.524 34.491 -8.211 114 HE2 LYS 20 HE2 LYS 20 -5.974 36.345 -8.849 115 HE3 LYS 20 HE1 LYS 20 -6.278 35.926 -7.163 116 HZ1 LYS 20 HZ1 LYS 20 -5.690 37.954 -6.548 117 HZ2 LYS 20 HZ2 LYS 20 -5.531 38.393 -8.182 118 HZ3 LYS 20 HZ3 LYS 20 -4.186 37.812 -7.321 119 H LEU 21 H LEU 21 -1.756 34.051 -8.682 120 HA LEU 21 HA LEU 21 1.041 34.401 -9.558 121 HB2 LEU 21 HB2 LEU 21 -1.166 33.531 -11.371 122 HB3 LEU 21 HB1 LEU 21 0.526 33.054 -11.381 123 HG LEU 21 HG LEU 21 -0.376 32.246 -8.875 124 HD11 LEU 21 1HD1 LEU 21 -2.360 30.769 -9.656 125 HD12 LEU 21 2HD1 LEU 21 -2.509 31.921 -10.983 126 HD13 LEU 21 3HD1 LEU 21 -2.685 32.469 -9.317 127 HD21 LEU 21 3HD2 LEU 21 0.884 30.576 -9.731 128 HD22 LEU 21 1HD2 LEU 21 0.540 31.078 -11.386 129 HD23 LEU 21 2HD2 LEU 21 -0.578 30.010 -10.539 130 H ARG 22 H ARG 22 1.739 36.131 -10.636 131 HA ARG 22 HA ARG 22 -0.129 38.292 -11.246 132 HB2 ARG 22 HB2 ARG 22 2.786 38.250 -12.004 133 HB3 ARG 22 HB1 ARG 22 1.774 39.633 -11.598 134 HG2 ARG 22 HG2 ARG 22 1.523 38.516 -9.278 135 HG3 ARG 22 HG1 ARG 22 2.915 37.543 -9.752 136 HD2 ARG 22 HD2 ARG 22 3.536 39.619 -8.488 137 HD3 ARG 22 HD1 ARG 22 4.264 39.529 -10.090 138 HE ARG 22 HE ARG 22 1.756 40.943 -10.208 139 HH11 ARG 22 1HH2 ARG 22 3.144 42.235 -7.864 140 HH12 ARG 22 2HH2 ARG 22 4.055 43.487 -8.640 141 HH21 ARG 22 1HH1 ARG 22 3.756 42.109 -11.809 142 HH22 ARG 22 2HH1 ARG 22 4.402 43.414 -10.872 143 HA PRO 23 HA PRO 23 1.252 37.244 -15.706 144 HB2 PRO 23 HB2 PRO 23 2.432 34.792 -16.112 145 HB3 PRO 23 HB1 PRO 23 3.339 36.281 -15.794 146 HG2 PRO 23 HG2 PRO 23 2.803 33.985 -13.971 147 HG3 PRO 23 HG1 PRO 23 4.147 35.138 -13.959 148 HD2 PRO 23 HD2 PRO 23 1.907 35.189 -12.241 149 HD3 PRO 23 HD1 PRO 23 3.072 36.507 -12.468 150 H GLY 24 H GLY 24 0.386 35.601 -17.399 151 HA2 GLY 24 HA2 GLY 24 -2.243 34.759 -16.601 152 HA3 GLY 24 HA1 GLY 24 -1.484 34.402 -18.151 153 H ALA 25 H ALA 25 -0.982 33.454 -14.723 154 HA ALA 25 HA ALA 25 -0.454 30.685 -15.695 155 HB1 ALA 25 HB1 ALA 25 0.334 30.406 -13.243 156 HB2 ALA 25 HB2 ALA 25 0.262 32.166 -13.165 157 HB3 ALA 25 HB3 ALA 25 1.340 31.378 -14.317 158 H GLN 26 H GLN 26 -1.204 29.035 -13.826 159 HA GLN 26 HA GLN 26 -4.061 29.714 -13.241 160 HB2 GLN 26 HB2 GLN 26 -2.731 27.257 -14.267 161 HB3 GLN 26 HB1 GLN 26 -4.064 27.023 -13.137 162 HG2 GLN 26 HG2 GLN 26 -5.617 27.730 -14.637 163 HG3 GLN 26 HG1 GLN 26 -4.588 29.038 -15.223 164 HE21 GLN 26 1HE2 GLN 26 -6.096 26.434 -16.424 165 HE22 GLN 26 2HE2 GLN 26 -4.961 25.900 -17.569 166 H CYS 27 H CYS 27 -1.432 27.571 -12.092 167 HA CYS 27 HA CYS 27 -2.008 28.444 -9.336 168 HB2 CYS 27 HB2 CYS 27 -3.054 26.550 -8.712 169 HB3 CYS 27 HB1 CYS 27 -3.021 26.013 -10.378 170 H GLY 28 H GLY 28 -0.172 28.554 -8.108 171 HA2 GLY 28 HA2 GLY 28 2.361 28.072 -9.512 172 HA3 GLY 28 HA1 GLY 28 2.178 28.867 -7.950 173 H GLU 29 H GLU 29 0.509 26.598 -6.907 174 HA GLU 29 HA GLU 29 2.628 24.498 -6.755 175 HB2 GLU 29 HB2 GLU 29 2.549 26.113 -4.749 176 HB3 GLU 29 HB1 GLU 29 1.010 25.347 -4.354 177 HG2 GLU 29 HG2 GLU 29 2.543 23.146 -4.788 178 HG3 GLU 29 HG1 GLU 29 3.761 24.262 -4.166 179 H GLY 30 H GLY 30 1.848 22.375 -6.411 180 HA2 GLY 30 HA2 GLY 30 -0.505 21.318 -5.643 181 HA3 GLY 30 HA1 GLY 30 -0.970 21.991 -7.206 182 H LEU 31 H LEU 31 -0.380 19.130 -6.012 183 HA LEU 31 HA LEU 31 1.800 17.975 -7.380 184 HB2 LEU 31 HB2 LEU 31 -0.771 16.988 -6.270 185 HB3 LEU 31 HB1 LEU 31 -0.003 15.952 -7.474 186 HG LEU 31 HG LEU 31 1.530 17.096 -5.133 187 HD11 LEU 31 1HD1 LEU 31 0.210 14.371 -5.296 188 HD12 LEU 31 2HD1 LEU 31 -0.418 15.719 -4.348 189 HD13 LEU 31 3HD1 LEU 31 1.147 15.011 -3.946 190 HD21 LEU 31 3HD2 LEU 31 3.022 16.296 -6.775 191 HD22 LEU 31 1HD2 LEU 31 1.963 14.956 -7.213 192 HD23 LEU 31 2HD2 LEU 31 2.848 14.918 -5.687 193 H CYS 32 H CYS 32 -1.130 19.273 -8.644 194 HA CYS 32 HA CYS 32 -0.550 17.979 -11.275 195 HB2 CYS 32 HB2 CYS 32 -3.183 19.213 -10.443 196 HB3 CYS 32 HB1 CYS 32 -2.874 18.148 -11.815 197 H CYS 33 H CYS 33 0.858 20.307 -10.375 198 HA CYS 33 HA CYS 33 -0.276 22.345 -12.253 199 HB2 CYS 33 HB2 CYS 33 0.278 22.653 -9.516 200 HB3 CYS 33 HB1 CYS 33 1.574 23.503 -10.362 201 H GLU 34 H GLU 34 0.950 21.917 -14.076 202 HA GLU 34 HA GLU 34 3.909 21.739 -13.726 203 HB2 GLU 34 HB2 GLU 34 2.382 21.084 -16.249 204 HB3 GLU 34 HB1 GLU 34 4.000 20.557 -15.782 205 HG2 GLU 34 HG2 GLU 34 2.941 19.328 -13.842 206 HG3 GLU 34 HG1 GLU 34 1.368 19.701 -14.550 207 H GLN 35 H GLN 35 4.956 23.617 -14.124 208 HA GLN 35 HA GLN 35 5.568 25.606 -15.220 209 HB2 GLN 35 HB2 GLN 35 4.159 24.070 -17.211 210 HB3 GLN 35 HB1 GLN 35 3.731 25.774 -17.373 211 HG2 GLN 35 HG2 GLN 35 6.431 25.945 -16.965 212 HG3 GLN 35 HG1 GLN 35 6.314 24.428 -17.856 213 HE21 GLN 35 1HE2 GLN 35 7.246 27.240 -18.716 214 HE22 GLN 35 2HE2 GLN 35 6.343 27.560 -20.117 215 H CYS 36 H CYS 36 3.451 25.447 -13.191 216 HA CYS 36 HA CYS 36 2.000 26.995 -12.178 217 HB2 CYS 36 HB2 CYS 36 2.343 28.753 -14.612 218 HB3 CYS 36 HB1 CYS 36 1.952 29.238 -12.958 219 H LYS 37 H LYS 37 1.428 25.183 -14.783 220 HA LYS 37 HA LYS 37 -1.335 26.240 -15.195 221 HB2 LYS 37 HB2 LYS 37 -0.053 24.195 -16.988 222 HB3 LYS 37 HB1 LYS 37 -1.320 25.362 -17.366 223 HG2 LYS 37 HG2 LYS 37 1.505 26.182 -16.659 224 HG3 LYS 37 HG1 LYS 37 0.974 25.909 -18.317 225 HD2 LYS 37 HD2 LYS 37 -0.917 27.565 -17.829 226 HD3 LYS 37 HD1 LYS 37 -0.026 27.989 -16.367 227 HE2 LYS 37 HE2 LYS 37 0.648 29.539 -18.084 228 HE3 LYS 37 HE1 LYS 37 1.990 28.424 -17.831 229 HZ1 LYS 37 HZ1 LYS 37 0.830 28.970 -20.216 230 HZ2 LYS 37 HZ2 LYS 37 0.094 27.503 -19.781 231 HZ3 LYS 37 HZ3 LYS 37 1.787 27.611 -19.880 232 H PHE 38 H PHE 38 -3.025 24.517 -15.447 233 HA PHE 38 HA PHE 38 -2.858 22.611 -13.286 234 HB2 PHE 38 HB2 PHE 38 -4.848 22.851 -15.563 235 HB3 PHE 38 HB1 PHE 38 -5.051 21.807 -14.156 236 HD1 PHE 38 HD2 PHE 38 -4.008 23.451 -11.965 237 HD2 PHE 38 HD1 PHE 38 -6.445 24.573 -15.321 238 HE1 PHE 38 HE2 PHE 38 -4.914 25.360 -10.668 239 HE2 PHE 38 HE1 PHE 38 -7.352 26.481 -14.023 240 HZ PHE 38 HZ PHE 38 -6.586 26.876 -11.697 241 H SER 39 H SER 39 -3.215 20.222 -13.640 242 HA SER 39 HA SER 39 -1.403 19.298 -15.802 243 HB2 SER 39 HB2 SER 39 -0.767 17.663 -14.364 244 HB3 SER 39 HB1 SER 39 -1.592 18.611 -13.131 245 HG SER 39 HG SER 39 -3.496 17.407 -13.649 246 H ARG 40 H ARG 40 -2.074 17.799 -17.356 247 HA ARG 40 HA ARG 40 -4.622 17.888 -18.427 248 HB2 ARG 40 HB2 ARG 40 -2.540 15.710 -18.445 249 HB3 ARG 40 HB1 ARG 40 -4.085 15.478 -19.265 250 HG2 ARG 40 HG2 ARG 40 -3.695 17.568 -20.548 251 HG3 ARG 40 HG1 ARG 40 -2.123 17.736 -19.766 252 HD2 ARG 40 HD2 ARG 40 -1.546 15.435 -20.657 253 HD3 ARG 40 HD1 ARG 40 -3.027 15.513 -21.612 254 HE ARG 40 HE ARG 40 -1.524 17.879 -22.112 255 HH11 ARG 40 1HH1 ARG 40 -2.582 15.357 -23.802 256 HH12 ARG 40 2HH1 ARG 40 -1.144 15.050 -24.716 257 HH21 ARG 40 1HH2 ARG 40 0.853 17.113 -22.771 258 HH22 ARG 40 2HH2 ARG 40 0.801 16.044 -24.133 259 H ALA 41 H ALA 41 -6.264 16.020 -18.497 260 HA ALA 41 HA ALA 41 -7.109 15.463 -15.753 261 HB1 ALA 41 HB1 ALA 41 -8.746 16.027 -17.530 262 HB2 ALA 41 HB2 ALA 41 -9.085 14.454 -16.808 263 HB3 ALA 41 HB3 ALA 41 -8.306 14.550 -18.387 264 H GLY 42 H GLY 42 -7.122 13.448 -14.741 265 HA2 GLY 42 HA2 GLY 42 -6.682 11.140 -14.460 266 HA3 GLY 42 HA1 GLY 42 -6.368 11.025 -16.192 267 H LYS 43 H LYS 43 -4.767 13.456 -14.260 268 HA LYS 43 HA LYS 43 -2.163 12.289 -14.972 269 HB2 LYS 43 HB2 LYS 43 -2.306 14.680 -15.122 270 HB3 LYS 43 HB1 LYS 43 -2.977 14.802 -13.498 271 HG2 LYS 43 HG2 LYS 43 -0.539 15.385 -13.623 272 HG3 LYS 43 HG1 LYS 43 -0.895 14.064 -12.511 273 HD2 LYS 43 HD2 LYS 43 0.316 12.591 -13.719 274 HD3 LYS 43 HD1 LYS 43 -0.429 13.111 -15.233 275 HE2 LYS 43 HE2 LYS 43 1.380 15.128 -14.130 276 HE3 LYS 43 HE1 LYS 43 2.197 13.603 -14.468 277 HZ1 LYS 43 HZ1 LYS 43 0.358 14.417 -16.525 278 HZ2 LYS 43 HZ2 LYS 43 1.964 13.880 -16.654 279 HZ3 LYS 43 HZ3 LYS 43 1.637 15.508 -16.298 280 H ILE 44 H ILE 44 -1.292 10.729 -13.703 281 HA ILE 44 HA ILE 44 -2.268 10.000 -11.137 282 HB ILE 44 HB ILE 44 0.425 9.507 -12.433 283 HG12 ILE 44 2HG1 ILE 44 -1.699 8.591 -13.504 284 HG13 ILE 44 1HG1 ILE 44 -0.498 7.380 -13.056 285 HG21 ILE 44 1HG2 ILE 44 0.662 9.267 -10.025 286 HG22 ILE 44 2HG2 ILE 44 0.605 7.659 -10.747 287 HG23 ILE 44 3HG2 ILE 44 -0.820 8.313 -9.939 288 HD11 ILE 44 3HD1 ILE 44 -2.839 8.168 -11.301 289 HD12 ILE 44 1HD1 ILE 44 -1.710 6.843 -11.026 290 HD13 ILE 44 2HD1 ILE 44 -2.842 6.772 -12.378 291 H CYS 45 H CYS 45 -2.031 11.008 -9.222 292 HA CYS 45 HA CYS 45 0.275 12.887 -8.893 293 HB2 CYS 45 HB2 CYS 45 -1.282 13.901 -7.083 294 HB3 CYS 45 HB1 CYS 45 -1.665 14.224 -8.773 295 H ARG 46 H ARG 46 -1.197 10.014 -7.755 296 HA ARG 46 HA ARG 46 0.860 9.748 -5.683 297 HB2 ARG 46 HB2 ARG 46 -1.505 10.891 -4.874 298 HB3 ARG 46 HB1 ARG 46 -1.812 9.181 -4.572 299 HG2 ARG 46 HG2 ARG 46 0.516 9.155 -3.451 300 HG3 ARG 46 HG1 ARG 46 0.385 10.914 -3.446 301 HD2 ARG 46 HD2 ARG 46 -1.845 10.655 -2.284 302 HD3 ARG 46 HD1 ARG 46 -1.489 8.936 -2.124 303 HE ARG 46 HE ARG 46 0.675 9.844 -0.925 304 HH11 ARG 46 1HH2 ARG 46 -2.629 10.642 -0.569 305 HH12 ARG 46 2HH2 ARG 46 -2.390 11.641 0.826 306 HH21 ARG 46 1HH1 ARG 46 1.068 11.392 0.737 307 HH22 ARG 46 2HH1 ARG 46 -0.295 12.068 1.564 308 H ILE 47 H ILE 47 1.280 7.569 -5.259 309 HA ILE 47 HA ILE 47 -0.625 5.560 -6.346 310 HB ILE 47 HB ILE 47 0.924 5.848 -8.162 311 HG12 ILE 47 2HG1 ILE 47 2.080 3.636 -8.168 312 HG13 ILE 47 1HG1 ILE 47 1.705 3.465 -6.452 313 HG21 ILE 47 1HG2 ILE 47 2.782 6.322 -5.973 314 HG22 ILE 47 2HG2 ILE 47 2.918 6.782 -7.670 315 HG23 ILE 47 3HG2 ILE 47 3.444 5.183 -7.144 316 HD11 ILE 47 3HD1 ILE 47 -0.380 2.760 -6.921 317 HD12 ILE 47 1HD1 ILE 47 0.061 2.746 -8.629 318 HD13 ILE 47 2HD1 ILE 47 -0.678 4.182 -7.920 319 HA PRO 48 HA PRO 48 0.780 4.133 -2.294 320 HB2 PRO 48 HB2 PRO 48 -1.473 2.626 -1.828 321 HB3 PRO 48 HB1 PRO 48 -1.372 4.365 -1.502 322 HG2 PRO 48 HG2 PRO 48 -2.771 2.950 -3.722 323 HG3 PRO 48 HG1 PRO 48 -3.128 4.525 -2.994 324 HD2 PRO 48 HD2 PRO 48 -1.800 4.103 -5.456 325 HD3 PRO 48 HD1 PRO 48 -1.866 5.634 -4.555 326 H ARG 49 H ARG 49 2.197 2.441 -2.242 327 HA ARG 49 HA ARG 49 1.907 0.217 -4.149 328 HB2 ARG 49 HB2 ARG 49 4.099 1.492 -3.189 329 HB3 ARG 49 HB1 ARG 49 4.028 0.126 -2.075 330 HG2 ARG 49 HG2 ARG 49 5.030 -1.098 -3.684 331 HG3 ARG 49 HG1 ARG 49 3.511 -1.003 -4.577 332 HD2 ARG 49 HD2 ARG 49 4.642 1.441 -5.128 333 HD3 ARG 49 HD1 ARG 49 6.058 0.392 -5.061 334 HE ARG 49 HE ARG 49 4.727 -1.081 -6.726 335 HH11 ARG 49 1HH1 ARG 49 2.428 0.951 -6.716 336 HH12 ARG 49 2HH1 ARG 49 2.744 1.806 -8.188 337 HH21 ARG 49 1HH2 ARG 49 5.986 0.616 -8.495 338 HH22 ARG 49 2HH2 ARG 49 4.758 1.615 -9.197 339 H LEU 50 H LEU 50 -0.197 0.217 -2.374 340 HA LEU 50 HA LEU 50 0.426 -2.185 -0.712 341 HB2 LEU 50 HB2 LEU 50 -1.644 -1.117 0.672 342 HB3 LEU 50 HB1 LEU 50 0.042 -0.785 1.063 343 HG LEU 50 HG LEU 50 -1.134 0.950 -1.031 344 HD11 LEU 50 1HD1 LEU 50 -2.090 0.949 1.833 345 HD12 LEU 50 2HD1 LEU 50 -3.063 0.941 0.363 346 HD13 LEU 50 3HD1 LEU 50 -2.164 2.388 0.816 347 HD21 LEU 50 3HD2 LEU 50 0.053 2.649 0.485 348 HD22 LEU 50 1HD2 LEU 50 1.077 1.442 -0.293 349 HD23 LEU 50 2HD2 LEU 50 0.630 1.257 1.403 350 H ASP 51 H ASP 51 -2.758 -0.766 -0.799 351 HA ASP 51 HA ASP 51 -3.608 -2.644 -2.931 352 HB2 ASP 51 HB2 ASP 51 -3.788 -3.612 -0.490 353 HB3 ASP 51 HB1 ASP 51 -5.194 -2.552 -0.381 354 H MET 52 H MET 52 -3.400 0.253 -2.861 355 HA MET 52 HA MET 52 -6.309 0.956 -2.979 356 HB2 MET 52 HB2 MET 52 -3.922 2.483 -2.009 357 HB3 MET 52 HB1 MET 52 -5.247 3.376 -2.755 358 HG2 MET 52 HG2 MET 52 -6.078 1.334 -0.787 359 HG3 MET 52 HG1 MET 52 -5.173 2.690 -0.113 360 HE1 MET 52 HE1 MET 52 -6.746 4.951 0.697 361 HE2 MET 52 HE2 MET 52 -6.946 5.772 -0.850 362 HE3 MET 52 HE3 MET 52 -5.457 4.891 -0.512 363 HA PRO 53 HA PRO 53 -5.717 2.025 -7.191 364 HB2 PRO 53 HB2 PRO 53 -7.510 4.098 -7.427 365 HB3 PRO 53 HB1 PRO 53 -7.991 2.396 -7.301 366 HG2 PRO 53 HG2 PRO 53 -8.142 4.549 -5.241 367 HG3 PRO 53 HG1 PRO 53 -9.129 3.088 -5.411 368 HD2 PRO 53 HD2 PRO 53 -7.002 3.442 -3.582 369 HD3 PRO 53 HD1 PRO 53 -7.769 1.898 -4.003 370 H ASP 54 H ASP 54 -4.719 3.612 -8.577 371 HA ASP 54 HA ASP 54 -2.906 5.424 -7.237 372 HB2 ASP 54 HB2 ASP 54 -3.582 5.427 -10.185 373 HB3 ASP 54 HB1 ASP 54 -2.073 5.926 -9.420 374 H ASP 55 H ASP 55 -3.030 7.671 -7.068 375 HA ASP 55 HA ASP 55 -5.718 8.832 -7.427 376 HB2 ASP 55 HB2 ASP 55 -3.190 9.652 -6.035 377 HB3 ASP 55 HB1 ASP 55 -4.364 10.896 -6.462 378 H ARG 56 H ARG 56 -6.253 10.007 -9.215 379 HA ARG 56 HA ARG 56 -4.006 11.036 -10.898 380 HB2 ARG 56 HB2 ARG 56 -6.697 9.893 -11.660 381 HB3 ARG 56 HB1 ARG 56 -5.739 10.859 -12.784 382 HG2 ARG 56 HG2 ARG 56 -3.833 9.291 -12.468 383 HG3 ARG 56 HG1 ARG 56 -4.850 8.301 -11.419 384 HD2 ARG 56 HD2 ARG 56 -5.230 8.863 -14.368 385 HD3 ARG 56 HD1 ARG 56 -4.971 7.302 -13.590 386 HE ARG 56 HE ARG 56 -7.313 8.279 -12.440 387 HH11 ARG 56 1HH1 ARG 56 -6.762 9.027 -15.607 388 HH12 ARG 56 2HH1 ARG 56 -8.029 8.051 -16.271 389 HH21 ARG 56 1HH2 ARG 56 -8.691 6.412 -13.288 390 HH22 ARG 56 2HH2 ARG 56 -9.122 6.572 -14.959 391 H CYS 57 H CYS 57 -4.400 13.086 -11.984 392 HA CYS 57 HA CYS 57 -5.960 14.937 -10.332 393 HB2 CYS 57 HB2 CYS 57 -4.548 15.529 -12.943 394 HB3 CYS 57 HB1 CYS 57 -4.997 16.678 -11.687 395 H THR 58 H THR 58 -7.880 15.945 -10.930 396 HA THR 58 HA THR 58 -9.572 14.616 -12.831 397 HB THR 58 HB THR 58 -11.218 16.255 -12.268 398 HG1 THR 58 HG1 THR 58 -10.211 18.097 -10.909 399 HG21 THR 58 3HG2 THR 58 -9.663 14.960 -10.283 400 HG22 THR 58 1HG2 THR 58 -11.339 15.492 -10.159 401 HG23 THR 58 2HG2 THR 58 -10.035 16.571 -9.669 402 H GLY 59 H GLY 59 -7.109 16.912 -13.251 403 HA2 GLY 59 HA2 GLY 59 -6.388 17.505 -15.510 404 HA3 GLY 59 HA1 GLY 59 -8.072 17.417 -16.028 405 H GLN 60 H GLN 60 -9.100 18.893 -13.732 406 HA GLN 60 HA GLN 60 -8.182 21.616 -14.541 407 HB2 GLN 60 HB2 GLN 60 -10.744 20.919 -13.088 408 HB3 GLN 60 HB1 GLN 60 -10.354 22.417 -13.934 409 HG2 GLN 60 HG2 GLN 60 -10.015 20.240 -15.762 410 HG3 GLN 60 HG1 GLN 60 -11.595 20.079 -14.995 411 HE21 GLN 60 1HE2 GLN 60 -13.103 21.031 -16.376 412 HE22 GLN 60 2HE2 GLN 60 -12.908 22.536 -17.137 413 H SER 61 H SER 61 -8.122 19.367 -11.976 414 HA SER 61 HA SER 61 -7.994 21.376 -9.837 415 HB2 SER 61 HB2 SER 61 -8.875 19.032 -9.500 416 HB3 SER 61 HB1 SER 61 -7.229 18.446 -9.718 417 HG SER 61 HG SER 61 -7.684 18.778 -7.520 418 H ALA 62 H ALA 62 -6.142 22.331 -9.104 419 HA ALA 62 HA ALA 62 -3.650 21.852 -10.555 420 HB1 ALA 62 HB1 ALA 62 -3.403 24.018 -9.981 421 HB2 ALA 62 HB2 ALA 62 -3.128 23.493 -8.320 422 HB3 ALA 62 HB3 ALA 62 -4.755 23.918 -8.853 423 H ASP 63 H ASP 63 -4.894 21.229 -7.288 424 HA ASP 63 HA ASP 63 -2.361 19.785 -6.660 425 HB2 ASP 63 HB2 ASP 63 -4.618 20.494 -4.767 426 HB3 ASP 63 HB1 ASP 63 -2.994 19.957 -4.339 427 H CYS 64 H CYS 64 -2.798 17.750 -5.241 428 HA CYS 64 HA CYS 64 -5.017 16.212 -6.522 429 HB2 CYS 64 HB2 CYS 64 -2.749 15.387 -7.069 430 HB3 CYS 64 HB1 CYS 64 -2.410 15.200 -5.349 431 HA PRO 65 HA PRO 65 -6.606 16.110 -2.401 432 HB2 PRO 65 HB2 PRO 65 -8.939 14.887 -3.145 433 HB3 PRO 65 HB1 PRO 65 -8.660 16.620 -3.312 434 HG2 PRO 65 HG2 PRO 65 -8.746 14.502 -5.395 435 HG3 PRO 65 HG1 PRO 65 -9.027 16.244 -5.554 436 HD2 PRO 65 HD2 PRO 65 -6.664 14.854 -6.274 437 HD3 PRO 65 HD1 PRO 65 -6.862 16.617 -6.169 438 H ARG 66 H ARG 66 -7.855 14.177 -1.184 439 HA ARG 66 HA ARG 66 -6.328 11.677 -1.788 440 HB2 ARG 66 HB2 ARG 66 -6.885 11.240 0.737 441 HB3 ARG 66 HB1 ARG 66 -5.572 12.344 0.324 442 HG2 ARG 66 HG2 ARG 66 -6.851 14.253 0.812 443 HG3 ARG 66 HG1 ARG 66 -8.378 13.381 0.669 444 HD2 ARG 66 HD2 ARG 66 -7.982 12.198 2.732 445 HD3 ARG 66 HD1 ARG 66 -6.330 12.810 2.828 446 HE ARG 66 HE ARG 66 -7.353 15.093 3.163 447 HH11 ARG 66 1HH1 ARG 66 -10.158 13.940 2.486 448 HH12 ARG 66 2HH1 ARG 66 -10.871 13.931 4.065 449 HH21 ARG 66 1HH2 ARG 66 -7.853 14.343 5.722 450 HH22 ARG 66 2HH2 ARG 66 -9.567 14.158 5.896 451 H TYR 67 H TYR 67 -7.484 9.763 -1.942 452 HA TYR 67 HA TYR 67 -10.402 10.022 -2.195 453 HB2 TYR 67 HB2 TYR 67 -8.331 8.048 -2.979 454 HB3 TYR 67 HB1 TYR 67 -9.921 7.382 -2.598 455 HD1 TYR 67 HD2 TYR 67 -11.974 8.607 -3.670 456 HD2 TYR 67 HD1 TYR 67 -7.940 8.949 -5.106 457 HE1 TYR 67 HE2 TYR 67 -12.823 9.364 -5.874 458 HE2 TYR 67 HE1 TYR 67 -8.789 9.706 -7.311 459 HH TYR 67 HH TYR 67 -11.325 9.253 -8.556 460 H HIS 68 H HIS 68 -11.480 10.010 -0.260 461 HA HIS 68 HA HIS 68 -11.558 7.631 1.340 462 HB2 HIS 68 HB2 HIS 68 -9.314 8.746 1.999 463 HB3 HIS 68 HB1 HIS 68 -10.313 9.957 2.805 464 HD1 HIS 68 HD1 HIS 68 -12.545 8.165 3.926 465 HD2 HIS 68 HD2 HIS 68 -8.497 7.194 4.160 466 HE1 HIS 68 HE1 HIS 68 -12.308 6.540 5.855 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -5.887 28.954 -6.151 2 H2 GLY 1 HT2 GLY 1 -5.800 29.961 -7.518 3 H3 GLY 1 HT3 GLY 1 -7.183 29.981 -6.530 4 HA2 GLY 1 HA1 GLY 1 -5.915 30.892 -4.699 5 HA3 GLY 1 HA2 GLY 1 -4.463 30.841 -5.700 6 H LYS 2 H LYS 2 -7.183 32.700 -4.834 7 HA LYS 2 HA LYS 2 -7.581 34.280 -7.171 8 HB2 LYS 2 HB2 LYS 2 -8.539 34.264 -4.529 9 HB3 LYS 2 HB1 LYS 2 -7.786 35.846 -4.733 10 HG2 LYS 2 HG2 LYS 2 -9.075 35.894 -7.005 11 HG3 LYS 2 HG1 LYS 2 -10.068 34.633 -6.273 12 HD2 LYS 2 HD2 LYS 2 -10.183 36.275 -4.234 13 HD3 LYS 2 HD1 LYS 2 -9.722 37.494 -5.421 14 HE2 LYS 2 HE2 LYS 2 -11.756 35.921 -6.619 15 HE3 LYS 2 HE1 LYS 2 -12.304 36.307 -4.988 16 HZ1 LYS 2 HZ1 LYS 2 -12.849 38.285 -5.799 17 HZ2 LYS 2 HZ2 LYS 2 -12.016 38.019 -7.256 18 HZ3 LYS 2 HZ3 LYS 2 -11.192 38.627 -5.900 19 H GLU 3 H GLU 3 -5.083 34.337 -4.709 20 HA GLU 3 HA GLU 3 -3.751 36.531 -6.234 21 HB2 GLU 3 HB2 GLU 3 -4.780 36.982 -3.792 22 HB3 GLU 3 HB1 GLU 3 -3.226 36.303 -3.311 23 HG2 GLU 3 HG2 GLU 3 -2.308 37.973 -5.162 24 HG3 GLU 3 HG1 GLU 3 -3.809 38.827 -4.806 25 H CYS 4 H CYS 4 -3.277 33.860 -3.945 26 HA CYS 4 HA CYS 4 -0.545 33.549 -5.095 27 HB2 CYS 4 HB2 CYS 4 -1.539 32.424 -2.469 28 HB3 CYS 4 HB1 CYS 4 0.124 32.465 -3.048 29 H ASP 5 H ASP 5 -0.590 32.018 -6.671 30 HA ASP 5 HA ASP 5 -2.356 29.649 -6.279 31 HB2 ASP 5 HB2 ASP 5 -2.458 31.079 -8.417 32 HB3 ASP 5 HB1 ASP 5 -0.887 30.382 -8.817 33 H CYS 6 H CYS 6 0.958 30.676 -6.423 34 HA CYS 6 HA CYS 6 1.830 27.823 -6.472 35 HB2 CYS 6 HB2 CYS 6 3.907 28.512 -7.330 36 HB3 CYS 6 HB1 CYS 6 2.777 29.599 -8.133 37 H SER 7 H SER 7 3.722 27.358 -4.965 38 HA SER 7 HA SER 7 3.363 28.898 -2.424 39 HB2 SER 7 HB2 SER 7 4.401 26.375 -1.772 40 HB3 SER 7 HB1 SER 7 2.747 26.926 -1.524 41 HG SER 7 HG SER 7 2.834 25.021 -2.785 42 H SER 8 H SER 8 5.446 28.636 -4.871 43 HA SER 8 HA SER 8 7.862 28.535 -3.121 44 HB2 SER 8 HB2 SER 8 7.319 27.280 -5.573 45 HB3 SER 8 HB1 SER 8 8.430 28.590 -5.965 46 HG SER 8 HG SER 8 9.238 26.400 -5.163 47 HA PRO 9 HA PRO 9 7.976 32.928 -3.912 48 HB2 PRO 9 HB2 PRO 9 10.178 33.412 -2.342 49 HB3 PRO 9 HB1 PRO 9 8.544 33.191 -1.693 50 HG2 PRO 9 HG2 PRO 9 10.853 31.305 -1.643 51 HG3 PRO 9 HG1 PRO 9 9.478 31.427 -0.531 52 HD2 PRO 9 HD2 PRO 9 9.781 29.511 -2.597 53 HD3 PRO 9 HD1 PRO 9 8.288 29.851 -1.697 54 H GLU 10 H GLU 10 9.931 30.577 -5.140 55 HA GLU 10 HA GLU 10 11.894 32.511 -6.293 56 HB2 GLU 10 HB2 GLU 10 11.952 29.508 -5.934 57 HB3 GLU 10 HB1 GLU 10 13.083 30.345 -6.997 58 HG2 GLU 10 HG2 GLU 10 12.721 30.790 -4.020 59 HG3 GLU 10 HG1 GLU 10 14.130 30.098 -4.824 60 H ASN 11 H ASN 11 9.394 30.159 -7.061 61 HA ASN 11 HA ASN 11 9.719 29.733 -9.777 62 HB2 ASN 11 HB2 ASN 11 7.634 29.435 -7.959 63 HB3 ASN 11 HB1 ASN 11 6.968 30.520 -9.179 64 HD21 ASN 11 1HD2 ASN 11 7.458 27.251 -8.477 65 HD22 ASN 11 2HD2 ASN 11 7.317 26.627 -10.050 66 HA PRO 12 HA PRO 12 9.676 33.923 -11.305 67 HB2 PRO 12 HB2 PRO 12 10.074 33.244 -13.939 68 HB3 PRO 12 HB1 PRO 12 11.372 33.292 -12.732 69 HG2 PRO 12 HG2 PRO 12 10.023 30.924 -13.943 70 HG3 PRO 12 HG1 PRO 12 11.652 31.060 -13.261 71 HD2 PRO 12 HD2 PRO 12 9.407 29.905 -11.978 72 HD3 PRO 12 HD1 PRO 12 10.945 30.341 -11.204 73 H CYS 13 H CYS 13 7.619 31.311 -12.409 74 HA CYS 13 HA CYS 13 5.948 32.858 -14.172 75 HB2 CYS 13 HB2 CYS 13 5.578 30.255 -12.694 76 HB3 CYS 13 HB1 CYS 13 4.279 30.960 -13.658 77 H CYS 14 H CYS 14 5.263 31.691 -10.838 78 HA CYS 14 HA CYS 14 3.051 33.573 -10.631 79 HB2 CYS 14 HB2 CYS 14 2.788 32.734 -8.353 80 HB3 CYS 14 HB1 CYS 14 2.984 31.390 -9.475 81 H ASP 15 H ASP 15 3.586 35.684 -10.576 82 HA ASP 15 HA ASP 15 5.968 36.867 -9.718 83 HB2 ASP 15 HB2 ASP 15 3.128 37.799 -9.896 84 HB3 ASP 15 HB1 ASP 15 4.291 38.828 -9.059 85 H ALA 16 H ALA 16 6.740 37.603 -7.720 86 HA ALA 16 HA ALA 16 5.749 36.204 -5.368 87 HB1 ALA 16 HB1 ALA 16 8.107 37.741 -6.117 88 HB2 ALA 16 HB2 ALA 16 7.932 36.498 -4.878 89 HB3 ALA 16 HB3 ALA 16 7.536 38.175 -4.505 90 H ALA 17 H ALA 17 5.959 39.656 -6.295 91 HA ALA 17 HA ALA 17 4.740 40.788 -4.043 92 HB1 ALA 17 HB1 ALA 17 3.747 41.962 -6.534 93 HB2 ALA 17 HB2 ALA 17 5.490 41.692 -6.562 94 HB3 ALA 17 HB3 ALA 17 4.771 42.678 -5.288 95 H THR 18 H THR 18 3.219 39.185 -6.812 96 HA THR 18 HA THR 18 0.601 39.414 -5.388 97 HB THR 18 HB THR 18 0.582 40.502 -7.579 98 HG1 THR 18 HG1 THR 18 -1.333 39.598 -7.258 99 HG21 THR 18 3HG2 THR 18 2.244 39.560 -8.885 100 HG22 THR 18 1HG2 THR 18 0.826 38.761 -9.562 101 HG23 THR 18 2HG2 THR 18 1.843 37.915 -8.396 102 H CYS 19 H CYS 19 3.022 37.357 -5.563 103 HA CYS 19 HA CYS 19 3.292 35.019 -5.676 104 HB2 CYS 19 HB2 CYS 19 1.652 33.872 -4.127 105 HB3 CYS 19 HB1 CYS 19 2.494 35.255 -3.435 106 H LYS 20 H LYS 20 1.567 36.108 -7.948 107 HA LYS 20 HA LYS 20 0.308 33.464 -8.522 108 HB2 LYS 20 HB2 LYS 20 -1.456 34.909 -9.843 109 HB3 LYS 20 HB1 LYS 20 -1.657 34.606 -8.122 110 HG2 LYS 20 HG2 LYS 20 -1.640 36.813 -7.736 111 HG3 LYS 20 HG1 LYS 20 -0.011 36.917 -8.401 112 HD2 LYS 20 HD2 LYS 20 -0.925 38.181 -10.039 113 HD3 LYS 20 HD1 LYS 20 -1.584 36.669 -10.664 114 HE2 LYS 20 HE2 LYS 20 -3.500 37.095 -8.926 115 HE3 LYS 20 HE1 LYS 20 -2.932 38.763 -8.982 116 HZ1 LYS 20 HZ1 LYS 20 -3.061 38.417 -11.518 117 HZ2 LYS 20 HZ2 LYS 20 -4.493 38.706 -10.653 118 HZ3 LYS 20 HZ3 LYS 20 -4.094 37.127 -11.135 119 H LEU 21 H LEU 21 0.135 32.938 -10.763 120 HA LEU 21 HA LEU 21 2.425 33.584 -12.310 121 HB2 LEU 21 HB2 LEU 21 -0.100 32.649 -13.624 122 HB3 LEU 21 HB1 LEU 21 1.563 32.166 -13.937 123 HG LEU 21 HG LEU 21 1.189 31.460 -11.281 124 HD11 LEU 21 1HD1 LEU 21 -1.316 30.870 -12.882 125 HD12 LEU 21 2HD1 LEU 21 -1.209 31.809 -11.392 126 HD13 LEU 21 3HD1 LEU 21 -0.901 30.073 -11.364 127 HD21 LEU 21 3HD2 LEU 21 2.204 30.260 -13.379 128 HD22 LEU 21 1HD2 LEU 21 0.605 29.528 -13.508 129 HD23 LEU 21 2HD2 LEU 21 1.570 29.287 -12.053 130 H ARG 22 H ARG 22 2.891 35.311 -13.524 131 HA ARG 22 HA ARG 22 0.843 37.370 -13.958 132 HB2 ARG 22 HB2 ARG 22 3.079 38.061 -13.247 133 HB3 ARG 22 HB1 ARG 22 3.788 37.305 -14.674 134 HG2 ARG 22 HG2 ARG 22 2.308 38.815 -16.079 135 HG3 ARG 22 HG1 ARG 22 1.911 39.677 -14.591 136 HD2 ARG 22 HD2 ARG 22 4.538 39.755 -14.305 137 HD3 ARG 22 HD1 ARG 22 4.524 39.526 -16.054 138 HE ARG 22 HE ARG 22 3.289 41.641 -16.252 139 HH11 ARG 22 1HH2 ARG 22 5.783 41.860 -14.293 140 HH12 ARG 22 2HH2 ARG 22 5.134 43.002 -13.164 141 HH21 ARG 22 1HH1 ARG 22 1.873 42.669 -14.295 142 HH22 ARG 22 2HH1 ARG 22 2.921 43.461 -13.166 143 HA PRO 23 HA PRO 23 1.840 36.213 -18.489 144 HB2 PRO 23 HB2 PRO 23 3.092 33.806 -18.933 145 HB3 PRO 23 HB1 PRO 23 3.956 35.341 -18.742 146 HG2 PRO 23 HG2 PRO 23 3.713 33.078 -16.824 147 HG3 PRO 23 HG1 PRO 23 4.980 34.309 -16.953 148 HD2 PRO 23 HD2 PRO 23 2.869 34.266 -15.062 149 HD3 PRO 23 HD1 PRO 23 3.968 35.624 -15.375 150 H GLY 24 H GLY 24 1.062 34.253 -20.016 151 HA2 GLY 24 HA2 GLY 24 -1.518 33.439 -19.013 152 HA3 GLY 24 HA1 GLY 24 -0.814 32.942 -20.552 153 H ALA 25 H ALA 25 -0.210 32.377 -17.057 154 HA ALA 25 HA ALA 25 0.371 29.531 -17.763 155 HB1 ALA 25 HB1 ALA 25 1.341 31.364 -15.596 156 HB2 ALA 25 HB2 ALA 25 2.262 30.260 -16.616 157 HB3 ALA 25 HB3 ALA 25 1.292 29.629 -15.285 158 H GLN 26 H GLN 26 -0.310 27.979 -15.921 159 HA GLN 26 HA GLN 26 -3.034 28.794 -14.993 160 HB2 GLN 26 HB2 GLN 26 -1.983 26.364 -16.256 161 HB3 GLN 26 HB1 GLN 26 -2.927 26.035 -14.803 162 HG2 GLN 26 HG2 GLN 26 -4.876 26.721 -15.758 163 HG3 GLN 26 HG1 GLN 26 -4.100 28.063 -16.602 164 HE21 GLN 26 1HE2 GLN 26 -2.762 27.421 -18.587 165 HE22 GLN 26 2HE2 GLN 26 -3.281 26.085 -19.497 166 H CYS 27 H CYS 27 -0.246 26.743 -14.081 167 HA CYS 27 HA CYS 27 -0.661 27.582 -11.267 168 HB2 CYS 27 HB2 CYS 27 -1.877 25.540 -11.237 169 HB3 CYS 27 HB1 CYS 27 -0.721 24.741 -12.300 170 H GLY 28 H GLY 28 1.272 27.889 -10.227 171 HA2 GLY 28 HA2 GLY 28 3.723 27.550 -11.809 172 HA3 GLY 28 HA1 GLY 28 3.601 28.355 -10.246 173 H GLU 29 H GLU 29 2.386 26.275 -8.750 174 HA GLU 29 HA GLU 29 4.278 23.993 -9.023 175 HB2 GLU 29 HB2 GLU 29 5.153 25.766 -7.399 176 HB3 GLU 29 HB1 GLU 29 3.789 25.343 -6.363 177 HG2 GLU 29 HG2 GLU 29 4.538 22.995 -6.323 178 HG3 GLU 29 HG1 GLU 29 5.900 23.410 -7.365 179 H GLY 30 H GLY 30 3.532 22.056 -7.980 180 HA2 GLY 30 HA2 GLY 30 1.418 21.590 -6.303 181 HA3 GLY 30 HA1 GLY 30 0.612 21.871 -7.847 182 H LEU 31 H LEU 31 0.339 19.374 -6.728 183 HA LEU 31 HA LEU 31 2.366 17.488 -7.470 184 HB2 LEU 31 HB2 LEU 31 -0.557 17.313 -6.814 185 HB3 LEU 31 HB1 LEU 31 0.240 15.912 -7.528 186 HG LEU 31 HG LEU 31 0.326 15.800 -5.067 187 HD11 LEU 31 1HD1 LEU 31 3.133 16.497 -5.790 188 HD12 LEU 31 2HD1 LEU 31 2.340 15.256 -6.759 189 HD13 LEU 31 3HD1 LEU 31 2.501 15.044 -5.016 190 HD21 LEU 31 3HD2 LEU 31 0.270 18.267 -4.692 191 HD22 LEU 31 1HD2 LEU 31 1.928 18.369 -5.283 192 HD23 LEU 31 2HD2 LEU 31 1.574 17.483 -3.801 193 H CYS 32 H CYS 32 0.282 19.370 -9.373 194 HA CYS 32 HA CYS 32 1.016 17.755 -11.749 195 HB2 CYS 32 HB2 CYS 32 -1.713 18.136 -10.691 196 HB3 CYS 32 HB1 CYS 32 -1.537 18.493 -12.409 197 H CYS 33 H CYS 33 2.342 20.003 -11.241 198 HA CYS 33 HA CYS 33 1.111 21.996 -13.098 199 HB2 CYS 33 HB2 CYS 33 2.755 22.601 -10.619 200 HB3 CYS 33 HB1 CYS 33 2.150 23.797 -11.763 201 H GLU 34 H GLU 34 2.347 21.399 -14.894 202 HA GLU 34 HA GLU 34 5.314 21.538 -14.549 203 HB2 GLU 34 HB2 GLU 34 4.413 19.340 -15.357 204 HB3 GLU 34 HB1 GLU 34 3.757 20.172 -16.767 205 HG2 GLU 34 HG2 GLU 34 6.214 21.062 -17.038 206 HG3 GLU 34 HG1 GLU 34 6.626 19.671 -16.034 207 H GLN 35 H GLN 35 6.429 22.996 -15.842 208 HA GLN 35 HA GLN 35 6.727 24.846 -17.251 209 HB2 GLN 35 HB2 GLN 35 5.691 23.073 -18.864 210 HB3 GLN 35 HB1 GLN 35 4.225 24.042 -18.718 211 HG2 GLN 35 HG2 GLN 35 5.453 26.041 -19.457 212 HG3 GLN 35 HG1 GLN 35 6.936 25.095 -19.579 213 HE21 GLN 35 1HE2 GLN 35 6.608 25.999 -21.957 214 HE22 GLN 35 2HE2 GLN 35 5.741 24.989 -23.010 215 H CYS 36 H CYS 36 4.976 24.966 -14.849 216 HA CYS 36 HA CYS 36 3.650 26.599 -13.810 217 HB2 CYS 36 HB2 CYS 36 3.964 28.127 -16.410 218 HB3 CYS 36 HB1 CYS 36 3.498 28.791 -14.840 219 H LYS 37 H LYS 37 2.649 24.517 -15.871 220 HA LYS 37 HA LYS 37 -0.114 25.631 -16.021 221 HB2 LYS 37 HB2 LYS 37 1.620 25.032 -18.240 222 HB3 LYS 37 HB1 LYS 37 0.257 23.912 -18.250 223 HG2 LYS 37 HG2 LYS 37 -1.317 25.792 -18.117 224 HG3 LYS 37 HG1 LYS 37 0.031 26.929 -18.051 225 HD2 LYS 37 HD2 LYS 37 0.132 25.038 -20.316 226 HD3 LYS 37 HD1 LYS 37 -1.220 26.169 -20.363 227 HE2 LYS 37 HE2 LYS 37 0.461 28.021 -19.909 228 HE3 LYS 37 HE1 LYS 37 1.729 26.829 -20.192 229 HZ1 LYS 37 HZ1 LYS 37 1.370 26.861 -22.381 230 HZ2 LYS 37 HZ2 LYS 37 0.542 28.318 -22.104 231 HZ3 LYS 37 HZ3 LYS 37 -0.317 26.856 -22.215 232 H PHE 38 H PHE 38 -1.718 23.783 -16.431 233 HA PHE 38 HA PHE 38 -1.220 21.675 -14.512 234 HB2 PHE 38 HB2 PHE 38 -3.416 21.879 -16.597 235 HB3 PHE 38 HB1 PHE 38 -3.423 20.837 -15.175 236 HD1 PHE 38 HD2 PHE 38 -2.354 22.560 -13.071 237 HD2 PHE 38 HD1 PHE 38 -5.083 23.495 -16.253 238 HE1 PHE 38 HE2 PHE 38 -3.301 24.409 -11.715 239 HE2 PHE 38 HE1 PHE 38 -6.031 25.343 -14.898 240 HZ PHE 38 HZ PHE 38 -5.139 25.801 -12.629 241 H SER 39 H SER 39 -0.265 19.723 -14.892 242 HA SER 39 HA SER 39 1.054 19.059 -17.274 243 HB2 SER 39 HB2 SER 39 0.049 17.421 -14.969 244 HB3 SER 39 HB1 SER 39 0.749 16.614 -16.369 245 HG SER 39 HG SER 39 2.648 17.672 -16.021 246 H ARG 40 H ARG 40 -1.241 16.580 -16.516 247 HA ARG 40 HA ARG 40 -2.882 17.270 -18.895 248 HB2 ARG 40 HB2 ARG 40 -1.298 14.732 -18.478 249 HB3 ARG 40 HB1 ARG 40 -2.699 14.789 -19.547 250 HG2 ARG 40 HG2 ARG 40 -1.488 15.772 -21.168 251 HG3 ARG 40 HG1 ARG 40 -0.971 17.045 -20.063 252 HD2 ARG 40 HD2 ARG 40 0.987 15.835 -20.896 253 HD3 ARG 40 HD1 ARG 40 0.785 15.526 -19.172 254 HE ARG 40 HE ARG 40 0.053 13.283 -19.697 255 HH11 ARG 40 1HH1 ARG 40 0.082 15.194 -22.524 256 HH12 ARG 40 2HH1 ARG 40 0.514 13.891 -23.581 257 HH21 ARG 40 1HH2 ARG 40 0.943 11.601 -21.013 258 HH22 ARG 40 2HH2 ARG 40 1.002 11.857 -22.725 259 H ALA 41 H ALA 41 -4.791 15.667 -19.027 260 HA ALA 41 HA ALA 41 -6.047 15.546 -16.393 261 HB1 ALA 41 HB1 ALA 41 -7.674 16.006 -17.968 262 HB2 ALA 41 HB2 ALA 41 -7.807 14.247 -17.945 263 HB3 ALA 41 HB3 ALA 41 -6.880 15.045 -19.216 264 H GLY 42 H GLY 42 -6.500 13.650 -15.219 265 HA2 GLY 42 HA2 GLY 42 -6.305 11.389 -14.588 266 HA3 GLY 42 HA1 GLY 42 -6.026 11.002 -16.287 267 H LYS 43 H LYS 43 -4.111 13.356 -14.526 268 HA LYS 43 HA LYS 43 -1.681 11.817 -15.141 269 HB2 LYS 43 HB2 LYS 43 -1.402 14.131 -15.502 270 HB3 LYS 43 HB1 LYS 43 -2.246 14.556 -14.017 271 HG2 LYS 43 HG2 LYS 43 0.145 14.912 -13.715 272 HG3 LYS 43 HG1 LYS 43 -0.376 13.561 -12.707 273 HD2 LYS 43 HD2 LYS 43 0.957 12.111 -13.811 274 HD3 LYS 43 HD1 LYS 43 0.377 12.676 -15.379 275 HE2 LYS 43 HE2 LYS 43 2.167 14.034 -15.676 276 HE3 LYS 43 HE1 LYS 43 2.113 14.612 -14.011 277 HZ1 LYS 43 HZ1 LYS 43 3.711 13.205 -13.445 278 HZ2 LYS 43 HZ2 LYS 43 3.907 12.822 -15.089 279 HZ3 LYS 43 HZ3 LYS 43 2.882 11.884 -14.111 280 H ILE 44 H ILE 44 -0.794 10.398 -13.713 281 HA ILE 44 HA ILE 44 -1.935 9.848 -11.170 282 HB ILE 44 HB ILE 44 0.756 9.175 -12.371 283 HG12 ILE 44 2HG1 ILE 44 -1.405 8.151 -13.242 284 HG13 ILE 44 1HG1 ILE 44 -0.213 6.990 -12.657 285 HG21 ILE 44 1HG2 ILE 44 1.000 9.282 -9.917 286 HG22 ILE 44 2HG2 ILE 44 1.054 7.611 -10.478 287 HG23 ILE 44 3HG2 ILE 44 -0.412 8.243 -9.729 288 HD11 ILE 44 3HD1 ILE 44 -1.462 6.426 -10.811 289 HD12 ILE 44 1HD1 ILE 44 -2.783 6.917 -11.871 290 HD13 ILE 44 2HD1 ILE 44 -2.161 8.039 -10.663 291 H CYS 45 H CYS 45 -1.802 10.979 -9.330 292 HA CYS 45 HA CYS 45 0.466 12.899 -8.986 293 HB2 CYS 45 HB2 CYS 45 -1.125 13.917 -7.239 294 HB3 CYS 45 HB1 CYS 45 -1.576 14.121 -8.931 295 H ARG 46 H ARG 46 -1.391 10.305 -7.504 296 HA ARG 46 HA ARG 46 0.827 9.900 -5.570 297 HB2 ARG 46 HB2 ARG 46 -2.016 10.525 -4.926 298 HB3 ARG 46 HB1 ARG 46 -1.246 9.258 -3.972 299 HG2 ARG 46 HG2 ARG 46 0.402 10.714 -3.139 300 HG3 ARG 46 HG1 ARG 46 0.148 11.889 -4.428 301 HD2 ARG 46 HD2 ARG 46 -2.342 11.777 -3.259 302 HD3 ARG 46 HD1 ARG 46 -1.273 11.580 -1.870 303 HE ARG 46 HE ARG 46 -0.225 13.718 -3.371 304 HH11 ARG 46 1HH2 ARG 46 -2.838 12.847 -1.320 305 HH12 ARG 46 2HH2 ARG 46 -3.367 14.477 -1.070 306 HH21 ARG 46 1HH1 ARG 46 -1.023 15.850 -3.227 307 HH22 ARG 46 2HH1 ARG 46 -2.340 16.178 -2.151 308 H ILE 47 H ILE 47 1.259 7.718 -5.266 309 HA ILE 47 HA ILE 47 -0.730 5.775 -6.333 310 HB ILE 47 HB ILE 47 0.982 6.317 -8.077 311 HG12 ILE 47 2HG1 ILE 47 1.653 3.533 -7.335 312 HG13 ILE 47 1HG1 ILE 47 -0.073 3.897 -7.393 313 HG21 ILE 47 1HG2 ILE 47 3.215 6.215 -7.676 314 HG22 ILE 47 2HG2 ILE 47 3.067 4.767 -6.680 315 HG23 ILE 47 3HG2 ILE 47 2.745 6.354 -5.981 316 HD11 ILE 47 3HD1 ILE 47 1.878 4.568 -9.612 317 HD12 ILE 47 1HD1 ILE 47 0.124 4.736 -9.662 318 HD13 ILE 47 2HD1 ILE 47 0.854 3.132 -9.597 319 HA PRO 48 HA PRO 48 0.672 4.139 -2.365 320 HB2 PRO 48 HB2 PRO 48 -1.616 2.676 -1.938 321 HB3 PRO 48 HB1 PRO 48 -1.469 4.399 -1.548 322 HG2 PRO 48 HG2 PRO 48 -2.927 3.103 -3.802 323 HG3 PRO 48 HG1 PRO 48 -3.227 4.665 -3.023 324 HD2 PRO 48 HD2 PRO 48 -1.923 4.263 -5.507 325 HD3 PRO 48 HD1 PRO 48 -1.961 5.776 -4.578 326 H ARG 49 H ARG 49 2.126 2.478 -2.558 327 HA ARG 49 HA ARG 49 1.623 0.259 -4.429 328 HB2 ARG 49 HB2 ARG 49 3.952 1.223 -2.812 329 HB3 ARG 49 HB1 ARG 49 3.919 -0.473 -3.293 330 HG2 ARG 49 HG2 ARG 49 3.163 0.894 -5.603 331 HG3 ARG 49 HG1 ARG 49 4.444 1.893 -4.916 332 HD2 ARG 49 HD2 ARG 49 5.748 -0.321 -4.627 333 HD3 ARG 49 HD1 ARG 49 4.569 -1.004 -5.746 334 HE ARG 49 HE ARG 49 6.158 1.405 -6.515 335 HH11 ARG 49 1HH1 ARG 49 4.219 0.255 -8.452 336 HH12 ARG 49 2HH1 ARG 49 5.216 -0.790 -9.408 337 HH21 ARG 49 1HH2 ARG 49 7.819 -0.841 -7.118 338 HH22 ARG 49 2HH2 ARG 49 7.255 -1.410 -8.654 339 H LEU 50 H LEU 50 -0.303 0.223 -2.528 340 HA LEU 50 HA LEU 50 0.488 -2.102 -0.831 341 HB2 LEU 50 HB2 LEU 50 -1.483 -1.045 0.673 342 HB3 LEU 50 HB1 LEU 50 0.209 -0.602 0.890 343 HG LEU 50 HG LEU 50 -1.232 0.950 -1.180 344 HD11 LEU 50 1HD1 LEU 50 -2.284 0.660 1.537 345 HD12 LEU 50 2HD1 LEU 50 -3.030 1.386 0.114 346 HD13 LEU 50 3HD1 LEU 50 -1.924 2.332 1.107 347 HD21 LEU 50 3HD2 LEU 50 0.723 1.449 1.062 348 HD22 LEU 50 1HD2 LEU 50 -0.061 2.789 0.226 349 HD23 LEU 50 2HD2 LEU 50 0.962 1.667 -0.671 350 H ASP 51 H ASP 51 -2.738 -0.818 -0.692 351 HA ASP 51 HA ASP 51 -3.665 -2.822 -2.687 352 HB2 ASP 51 HB2 ASP 51 -3.781 -3.327 0.020 353 HB3 ASP 51 HB1 ASP 51 -5.366 -2.619 -0.294 354 H MET 52 H MET 52 -3.464 0.119 -2.753 355 HA MET 52 HA MET 52 -6.388 0.732 -2.985 356 HB2 MET 52 HB2 MET 52 -4.137 2.324 -1.821 357 HB3 MET 52 HB1 MET 52 -5.415 3.193 -2.673 358 HG2 MET 52 HG2 MET 52 -6.968 1.601 -1.192 359 HG3 MET 52 HG1 MET 52 -5.555 1.620 -0.137 360 HE1 MET 52 HE1 MET 52 -8.577 2.654 -0.872 361 HE2 MET 52 HE2 MET 52 -8.834 4.389 -0.703 362 HE3 MET 52 HE3 MET 52 -8.651 3.388 0.735 363 HA PRO 53 HA PRO 53 -5.563 1.917 -7.129 364 HB2 PRO 53 HB2 PRO 53 -7.362 3.972 -7.444 365 HB3 PRO 53 HB1 PRO 53 -7.828 2.263 -7.372 366 HG2 PRO 53 HG2 PRO 53 -8.138 4.381 -5.297 367 HG3 PRO 53 HG1 PRO 53 -9.090 2.909 -5.549 368 HD2 PRO 53 HD2 PRO 53 -7.080 3.266 -3.585 369 HD3 PRO 53 HD1 PRO 53 -7.805 1.717 -4.070 370 H ASP 54 H ASP 54 -4.620 3.613 -8.465 371 HA ASP 54 HA ASP 54 -2.908 5.430 -6.942 372 HB2 ASP 54 HB2 ASP 54 -3.209 5.364 -9.944 373 HB3 ASP 54 HB1 ASP 54 -1.793 5.828 -8.999 374 H ASP 55 H ASP 55 -3.033 7.694 -6.940 375 HA ASP 55 HA ASP 55 -5.682 8.807 -7.618 376 HB2 ASP 55 HB2 ASP 55 -3.293 9.760 -6.060 377 HB3 ASP 55 HB1 ASP 55 -4.492 10.927 -6.616 378 H ARG 56 H ARG 56 -6.043 10.129 -9.376 379 HA ARG 56 HA ARG 56 -3.635 10.951 -10.953 380 HB2 ARG 56 HB2 ARG 56 -6.333 10.397 -12.181 381 HB3 ARG 56 HB1 ARG 56 -4.757 10.454 -12.971 382 HG2 ARG 56 HG2 ARG 56 -4.380 8.483 -11.087 383 HG3 ARG 56 HG1 ARG 56 -6.062 8.230 -11.552 384 HD2 ARG 56 HD2 ARG 56 -5.248 8.382 -13.982 385 HD3 ARG 56 HD1 ARG 56 -3.618 8.222 -13.330 386 HE ARG 56 HE ARG 56 -4.391 6.020 -12.357 387 HH11 ARG 56 1HH2 ARG 56 -7.110 7.222 -13.766 388 HH12 ARG 56 2HH2 ARG 56 -7.379 5.903 -14.857 389 HH21 ARG 56 1HH1 ARG 56 -4.293 4.438 -14.268 390 HH22 ARG 56 2HH1 ARG 56 -5.784 4.328 -15.140 391 H CYS 57 H CYS 57 -3.927 12.943 -12.203 392 HA CYS 57 HA CYS 57 -5.512 14.922 -10.708 393 HB2 CYS 57 HB2 CYS 57 -3.676 15.246 -13.103 394 HB3 CYS 57 HB1 CYS 57 -4.370 16.562 -12.166 395 H THR 58 H THR 58 -7.074 16.315 -11.765 396 HA THR 58 HA THR 58 -8.663 14.888 -13.778 397 HB THR 58 HB THR 58 -10.285 16.694 -13.457 398 HG1 THR 58 HG1 THR 58 -9.451 18.559 -13.024 399 HG21 THR 58 3HG2 THR 58 -9.283 14.985 -11.418 400 HG22 THR 58 1HG2 THR 58 -10.909 15.649 -11.569 401 HG23 THR 58 2HG2 THR 58 -9.680 16.527 -10.660 402 H GLY 59 H GLY 59 -6.012 16.885 -13.944 403 HA2 GLY 59 HA2 GLY 59 -5.025 17.627 -16.000 404 HA3 GLY 59 HA1 GLY 59 -6.610 17.533 -16.768 405 H GLN 60 H GLN 60 -8.035 19.023 -14.754 406 HA GLN 60 HA GLN 60 -7.088 21.739 -15.481 407 HB2 GLN 60 HB2 GLN 60 -9.653 21.093 -14.029 408 HB3 GLN 60 HB1 GLN 60 -9.290 22.485 -15.050 409 HG2 GLN 60 HG2 GLN 60 -9.673 19.614 -15.937 410 HG3 GLN 60 HG1 GLN 60 -10.696 20.997 -16.329 411 HE21 GLN 60 1HE2 GLN 60 -9.504 22.827 -17.570 412 HE22 GLN 60 2HE2 GLN 60 -8.337 22.353 -18.708 413 H SER 61 H SER 61 -7.273 19.591 -12.773 414 HA SER 61 HA SER 61 -6.967 21.778 -10.811 415 HB2 SER 61 HB2 SER 61 -8.238 19.475 -10.522 416 HB3 SER 61 HB1 SER 61 -6.630 18.879 -10.118 417 HG SER 61 HG SER 61 -6.982 19.722 -8.232 418 H ALA 62 H ALA 62 -5.038 22.226 -9.729 419 HA ALA 62 HA ALA 62 -2.590 21.178 -11.010 420 HB1 ALA 62 HB1 ALA 62 -1.766 22.900 -9.019 421 HB2 ALA 62 HB2 ALA 62 -3.339 23.565 -9.461 422 HB3 ALA 62 HB3 ALA 62 -2.087 23.369 -10.689 423 H ASP 63 H ASP 63 -3.952 21.446 -7.712 424 HA ASP 63 HA ASP 63 -1.873 19.700 -6.620 425 HB2 ASP 63 HB2 ASP 63 -4.480 20.493 -5.300 426 HB3 ASP 63 HB1 ASP 63 -2.983 19.990 -4.515 427 H CYS 64 H CYS 64 -2.745 17.728 -5.265 428 HA CYS 64 HA CYS 64 -4.705 16.256 -6.985 429 HB2 CYS 64 HB2 CYS 64 -2.502 15.286 -7.249 430 HB3 CYS 64 HB1 CYS 64 -2.272 15.230 -5.501 431 HA PRO 65 HA PRO 65 -6.833 16.273 -3.062 432 HB2 PRO 65 HB2 PRO 65 -9.254 15.760 -4.235 433 HB3 PRO 65 HB1 PRO 65 -8.581 17.383 -4.075 434 HG2 PRO 65 HG2 PRO 65 -8.825 15.656 -6.487 435 HG3 PRO 65 HG1 PRO 65 -8.722 17.422 -6.376 436 HD2 PRO 65 HD2 PRO 65 -6.617 15.681 -7.094 437 HD3 PRO 65 HD1 PRO 65 -6.454 17.395 -6.657 438 H ARG 66 H ARG 66 -7.893 14.516 -1.888 439 HA ARG 66 HA ARG 66 -7.637 11.855 -3.234 440 HB2 ARG 66 HB2 ARG 66 -7.166 11.010 -0.854 441 HB3 ARG 66 HB1 ARG 66 -5.880 11.935 -1.628 442 HG2 ARG 66 HG2 ARG 66 -6.638 13.973 -0.465 443 HG3 ARG 66 HG1 ARG 66 -7.927 13.052 0.311 444 HD2 ARG 66 HD2 ARG 66 -6.402 11.779 1.595 445 HD3 ARG 66 HD1 ARG 66 -5.036 12.228 0.574 446 HE ARG 66 HE ARG 66 -4.773 14.114 1.947 447 HH11 ARG 66 1HH2 ARG 66 -7.776 12.609 2.563 448 HH12 ARG 66 2HH2 ARG 66 -8.427 13.939 3.462 449 HH21 ARG 66 1HH1 ARG 66 -5.714 16.015 2.862 450 HH22 ARG 66 2HH1 ARG 66 -7.260 15.869 3.630 451 H TYR 67 H TYR 67 -9.509 10.708 -3.263 452 HA TYR 67 HA TYR 67 -11.762 11.690 -1.585 453 HB2 TYR 67 HB2 TYR 67 -13.193 10.402 -3.125 454 HB3 TYR 67 HB1 TYR 67 -12.157 11.514 -4.020 455 HD1 TYR 67 HD2 TYR 67 -12.673 7.977 -3.059 456 HD2 TYR 67 HD1 TYR 67 -10.395 10.713 -5.461 457 HE1 TYR 67 HE2 TYR 67 -11.727 6.070 -4.334 458 HE2 TYR 67 HE1 TYR 67 -9.449 8.808 -6.736 459 HH TYR 67 HH TYR 67 -10.344 6.298 -7.222 460 H HIS 68 H HIS 68 -13.111 10.072 -0.483 461 HA HIS 68 HA HIS 68 -13.453 8.094 0.751 462 HB2 HIS 68 HB2 HIS 68 -12.511 7.022 -1.411 463 HB3 HIS 68 HB1 HIS 68 -10.982 6.932 -0.536 464 HD1 HIS 68 HD1 HIS 68 -11.510 5.945 2.123 465 HD2 HIS 68 HD2 HIS 68 -13.894 4.667 -1.049 466 HE1 HIS 68 HE1 HIS 68 -12.596 3.783 2.870 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -8.533 33.634 1.408 2 H2 GLY 1 HT2 GLY 1 -8.292 32.146 0.624 3 H3 GLY 1 HT3 GLY 1 -9.512 33.201 0.093 4 HA2 GLY 1 HA1 GLY 1 -7.839 33.529 -1.458 5 HA3 GLY 1 HA2 GLY 1 -7.636 34.864 -0.323 6 H LYS 2 H LYS 2 -5.980 32.468 -1.915 7 HA LYS 2 HA LYS 2 -3.993 32.043 0.250 8 HB2 LYS 2 HB2 LYS 2 -4.858 30.557 -2.079 9 HB3 LYS 2 HB1 LYS 2 -3.112 30.803 -2.124 10 HG2 LYS 2 HG2 LYS 2 -3.427 28.797 -0.880 11 HG3 LYS 2 HG1 LYS 2 -3.094 30.042 0.324 12 HD2 LYS 2 HD2 LYS 2 -5.827 30.227 0.054 13 HD3 LYS 2 HD1 LYS 2 -5.553 28.495 -0.137 14 HE2 LYS 2 HE2 LYS 2 -3.896 29.423 2.001 15 HE3 LYS 2 HE1 LYS 2 -5.534 30.018 2.276 16 HZ1 LYS 2 HZ1 LYS 2 -5.814 27.420 1.405 17 HZ2 LYS 2 HZ2 LYS 2 -6.036 27.997 2.987 18 HZ3 LYS 2 HZ3 LYS 2 -4.529 27.376 2.511 19 H GLU 3 H GLU 3 -2.078 33.156 0.274 20 HA GLU 3 HA GLU 3 -1.567 35.012 -1.993 21 HB2 GLU 3 HB2 GLU 3 -1.126 35.096 0.902 22 HB3 GLU 3 HB1 GLU 3 0.288 35.599 -0.024 23 HG2 GLU 3 HG2 GLU 3 -2.102 36.727 -1.189 24 HG3 GLU 3 HG1 GLU 3 -2.019 37.131 0.527 25 H CYS 4 H CYS 4 -0.138 32.362 -0.200 26 HA CYS 4 HA CYS 4 2.308 32.532 -1.866 27 HB2 CYS 4 HB2 CYS 4 1.576 30.785 0.497 28 HB3 CYS 4 HB1 CYS 4 3.080 30.617 -0.407 29 H ASP 5 H ASP 5 2.033 31.634 -3.847 30 HA ASP 5 HA ASP 5 0.165 29.419 -4.262 31 HB2 ASP 5 HB2 ASP 5 1.122 31.427 -5.872 32 HB3 ASP 5 HB1 ASP 5 2.080 30.048 -6.416 33 H CYS 6 H CYS 6 3.544 29.783 -3.583 34 HA CYS 6 HA CYS 6 3.863 26.833 -3.938 35 HB2 CYS 6 HB2 CYS 6 6.100 27.138 -4.799 36 HB3 CYS 6 HB1 CYS 6 5.014 28.136 -5.767 37 H SER 7 H SER 7 5.896 26.090 -2.654 38 HA SER 7 HA SER 7 6.252 27.752 -0.202 39 HB2 SER 7 HB2 SER 7 5.718 24.766 -0.227 40 HB3 SER 7 HB1 SER 7 6.037 25.746 1.201 41 HG SER 7 HG SER 7 3.868 26.028 -0.616 42 H SER 8 H SER 8 8.088 27.650 -2.294 43 HA SER 8 HA SER 8 10.320 26.177 -0.985 44 HB2 SER 8 HB2 SER 8 10.892 26.098 -3.727 45 HB3 SER 8 HB1 SER 8 10.413 24.736 -2.717 46 HG SER 8 HG SER 8 8.260 25.188 -3.228 47 HA PRO 9 HA PRO 9 12.258 30.098 -1.593 48 HB2 PRO 9 HB2 PRO 9 14.801 29.319 -0.903 49 HB3 PRO 9 HB1 PRO 9 13.508 29.595 0.278 50 HG2 PRO 9 HG2 PRO 9 14.659 27.017 -0.674 51 HG3 PRO 9 HG1 PRO 9 13.850 27.386 0.859 52 HD2 PRO 9 HD2 PRO 9 12.694 26.051 -1.364 53 HD3 PRO 9 HD1 PRO 9 11.826 26.679 0.053 54 H GLU 10 H GLU 10 13.069 27.248 -3.372 55 HA GLU 10 HA GLU 10 14.804 28.831 -5.217 56 HB2 GLU 10 HB2 GLU 10 15.210 26.316 -4.121 57 HB3 GLU 10 HB1 GLU 10 14.601 25.953 -5.736 58 HG2 GLU 10 HG2 GLU 10 16.322 27.900 -6.392 59 HG3 GLU 10 HG1 GLU 10 17.118 27.331 -4.925 60 H ASN 11 H ASN 11 12.298 29.571 -5.564 61 HA ASN 11 HA ASN 11 11.406 28.066 -7.982 62 HB2 ASN 11 HB2 ASN 11 9.988 27.774 -5.825 63 HB3 ASN 11 HB1 ASN 11 9.474 29.433 -6.120 64 HD21 ASN 11 1HD2 ASN 11 8.494 26.328 -6.675 65 HD22 ASN 11 2HD2 ASN 11 7.630 26.546 -8.119 66 HA PRO 12 HA PRO 12 11.939 32.257 -9.476 67 HB2 PRO 12 HB2 PRO 12 11.698 31.589 -12.131 68 HB3 PRO 12 HB1 PRO 12 13.190 31.382 -11.197 69 HG2 PRO 12 HG2 PRO 12 11.247 29.314 -12.109 70 HG3 PRO 12 HG1 PRO 12 12.971 29.150 -11.745 71 HD2 PRO 12 HD2 PRO 12 10.834 28.373 -10.055 72 HD3 PRO 12 HD1 PRO 12 12.543 28.506 -9.589 73 H CYS 13 H CYS 13 9.425 30.131 -10.906 74 HA CYS 13 HA CYS 13 7.752 32.092 -11.994 75 HB2 CYS 13 HB2 CYS 13 7.533 29.333 -11.331 76 HB3 CYS 13 HB1 CYS 13 6.098 30.144 -10.700 77 H CYS 14 H CYS 14 7.242 30.661 -8.740 78 HA CYS 14 HA CYS 14 5.566 32.950 -8.004 79 HB2 CYS 14 HB2 CYS 14 5.336 31.784 -5.840 80 HB3 CYS 14 HB1 CYS 14 5.010 30.694 -7.189 81 H ASP 15 H ASP 15 6.610 34.837 -7.578 82 HA ASP 15 HA ASP 15 9.306 35.164 -6.851 83 HB2 ASP 15 HB2 ASP 15 6.864 36.857 -6.283 84 HB3 ASP 15 HB1 ASP 15 8.489 37.371 -5.827 85 H ALA 16 H ALA 16 10.400 35.129 -4.887 86 HA ALA 16 HA ALA 16 9.190 33.630 -2.725 87 HB1 ALA 16 HB1 ALA 16 11.735 35.224 -2.468 88 HB2 ALA 16 HB2 ALA 16 11.688 33.747 -3.432 89 HB3 ALA 16 HB3 ALA 16 11.314 33.689 -1.709 90 H ALA 17 H ALA 17 9.891 37.054 -3.290 91 HA ALA 17 HA ALA 17 9.418 38.005 -0.655 92 HB1 ALA 17 HB1 ALA 17 8.569 40.104 -2.027 93 HB2 ALA 17 HB2 ALA 17 9.223 39.204 -3.396 94 HB3 ALA 17 HB3 ALA 17 10.274 39.653 -2.053 95 H THR 18 H THR 18 7.182 37.151 -3.259 96 HA THR 18 HA THR 18 4.932 37.644 -1.346 97 HB THR 18 HB THR 18 3.530 37.923 -3.452 98 HG1 THR 18 HG1 THR 18 5.003 36.992 -4.893 99 HG21 THR 18 3HG2 THR 18 4.191 40.244 -3.757 100 HG22 THR 18 1HG2 THR 18 5.788 39.910 -3.088 101 HG23 THR 18 2HG2 THR 18 4.362 39.821 -2.053 102 H CYS 19 H CYS 19 6.722 35.228 -2.426 103 HA CYS 19 HA CYS 19 6.355 32.991 -3.090 104 HB2 CYS 19 HB2 CYS 19 4.673 31.877 -1.531 105 HB3 CYS 19 HB1 CYS 19 5.980 32.760 -0.745 106 H LYS 20 H LYS 20 4.965 34.823 -4.835 107 HA LYS 20 HA LYS 20 2.716 33.026 -5.615 108 HB2 LYS 20 HB2 LYS 20 2.433 35.670 -4.614 109 HB3 LYS 20 HB1 LYS 20 2.072 35.727 -6.339 110 HG2 LYS 20 HG2 LYS 20 0.901 33.572 -4.585 111 HG3 LYS 20 HG1 LYS 20 0.133 35.156 -4.708 112 HD2 LYS 20 HD2 LYS 20 0.893 34.017 -7.310 113 HD3 LYS 20 HD1 LYS 20 -0.304 33.057 -6.441 114 HE2 LYS 20 HE2 LYS 20 -1.478 35.354 -6.024 115 HE3 LYS 20 HE1 LYS 20 -0.496 35.909 -7.380 116 HZ1 LYS 20 HZ1 LYS 20 -2.495 33.722 -7.359 117 HZ2 LYS 20 HZ2 LYS 20 -1.378 33.933 -8.622 118 HZ3 LYS 20 HZ3 LYS 20 -2.517 35.146 -8.281 119 H LEU 21 H LEU 21 2.330 32.942 -7.884 120 HA LEU 21 HA LEU 21 4.656 33.369 -9.534 121 HB2 LEU 21 HB2 LEU 21 1.921 33.006 -10.711 122 HB3 LEU 21 HB1 LEU 21 3.458 32.317 -11.227 123 HG LEU 21 HG LEU 21 3.073 31.365 -8.610 124 HD11 LEU 21 1HD1 LEU 21 0.725 30.196 -9.616 125 HD12 LEU 21 2HD1 LEU 21 0.533 31.927 -9.892 126 HD13 LEU 21 3HD1 LEU 21 0.849 31.322 -8.266 127 HD21 LEU 21 3HD2 LEU 21 3.695 29.490 -9.692 128 HD22 LEU 21 1HD2 LEU 21 3.594 30.393 -11.204 129 HD23 LEU 21 2HD2 LEU 21 2.200 29.480 -10.627 130 H ARG 22 H ARG 22 5.301 35.306 -10.260 131 HA ARG 22 HA ARG 22 3.558 37.622 -10.229 132 HB2 ARG 22 HB2 ARG 22 5.727 38.244 -9.767 133 HB3 ARG 22 HB1 ARG 22 6.420 37.065 -10.873 134 HG2 ARG 22 HG2 ARG 22 5.633 38.453 -12.791 135 HG3 ARG 22 HG1 ARG 22 5.045 39.656 -11.641 136 HD2 ARG 22 HD2 ARG 22 7.130 40.436 -11.209 137 HD3 ARG 22 HD1 ARG 22 7.828 38.820 -11.176 138 HE ARG 22 HE ARG 22 7.528 40.524 -13.580 139 HH11 ARG 22 1HH2 ARG 22 9.606 38.508 -12.019 140 HH12 ARG 22 2HH2 ARG 22 10.002 37.518 -13.383 141 HH21 ARG 22 1HH1 ARG 22 7.497 38.825 -15.395 142 HH22 ARG 22 2HH1 ARG 22 8.808 37.697 -15.295 143 HA PRO 23 HA PRO 23 3.900 37.250 -14.992 144 HB2 PRO 23 HB2 PRO 23 4.866 34.876 -15.997 145 HB3 PRO 23 HB1 PRO 23 5.876 36.295 -15.669 146 HG2 PRO 23 HG2 PRO 23 5.627 33.762 -14.105 147 HG3 PRO 23 HG1 PRO 23 7.008 34.863 -14.248 148 HD2 PRO 23 HD2 PRO 23 5.254 34.743 -12.059 149 HD3 PRO 23 HD1 PRO 23 6.356 36.085 -12.419 150 H GLY 24 H GLY 24 2.684 35.826 -16.709 151 HA2 GLY 24 HA2 GLY 24 0.200 34.983 -15.545 152 HA3 GLY 24 HA1 GLY 24 0.651 34.785 -17.236 153 H ALA 25 H ALA 25 1.538 33.403 -14.049 154 HA ALA 25 HA ALA 25 1.851 30.760 -15.397 155 HB1 ALA 25 HB1 ALA 25 2.666 30.345 -12.827 156 HB2 ALA 25 HB2 ALA 25 3.054 32.054 -13.021 157 HB3 ALA 25 HB3 ALA 25 3.744 30.864 -14.123 158 H GLN 26 H GLN 26 1.158 28.908 -13.714 159 HA GLN 26 HA GLN 26 -1.570 29.661 -12.740 160 HB2 GLN 26 HB2 GLN 26 -0.925 27.806 -14.695 161 HB3 GLN 26 HB1 GLN 26 -1.131 26.810 -13.253 162 HG2 GLN 26 HG2 GLN 26 -3.329 26.919 -13.940 163 HG3 GLN 26 HG1 GLN 26 -3.275 28.371 -12.940 164 HE21 GLN 26 1HE2 GLN 26 -4.589 27.484 -15.740 165 HE22 GLN 26 2HE2 GLN 26 -4.360 28.882 -16.675 166 H CYS 27 H CYS 27 1.167 27.433 -12.193 167 HA CYS 27 HA CYS 27 0.704 27.714 -9.285 168 HB2 CYS 27 HB2 CYS 27 -0.553 25.754 -9.538 169 HB3 CYS 27 HB1 CYS 27 0.440 25.166 -10.865 170 H GLY 28 H GLY 28 2.628 27.815 -8.205 171 HA2 GLY 28 HA2 GLY 28 5.098 27.635 -9.779 172 HA3 GLY 28 HA1 GLY 28 4.972 28.187 -8.111 173 H GLU 29 H GLU 29 3.588 25.919 -7.060 174 HA GLU 29 HA GLU 29 5.413 23.647 -7.638 175 HB2 GLU 29 HB2 GLU 29 6.502 24.789 -5.800 176 HB3 GLU 29 HB1 GLU 29 4.980 24.897 -4.913 177 HG2 GLU 29 HG2 GLU 29 5.041 22.703 -4.271 178 HG3 GLU 29 HG1 GLU 29 5.811 22.179 -5.768 179 H GLY 30 H GLY 30 4.537 21.600 -7.017 180 HA2 GLY 30 HA2 GLY 30 2.339 20.960 -5.495 181 HA3 GLY 30 HA1 GLY 30 1.616 21.524 -7.002 182 H LEU 31 H LEU 31 1.078 18.957 -6.504 183 HA LEU 31 HA LEU 31 3.159 17.188 -7.584 184 HB2 LEU 31 HB2 LEU 31 0.424 16.848 -6.437 185 HB3 LEU 31 HB1 LEU 31 0.996 15.603 -7.546 186 HG LEU 31 HG LEU 31 2.417 16.556 -5.043 187 HD11 LEU 31 1HD1 LEU 31 2.063 13.878 -4.777 188 HD12 LEU 31 2HD1 LEU 31 0.627 14.286 -5.716 189 HD13 LEU 31 3HD1 LEU 31 0.915 15.069 -4.163 190 HD21 LEU 31 3HD2 LEU 31 3.336 15.154 -7.439 191 HD22 LEU 31 1HD2 LEU 31 3.610 14.214 -5.973 192 HD23 LEU 31 2HD2 LEU 31 4.278 15.840 -6.118 193 H CYS 32 H CYS 32 0.908 19.286 -8.929 194 HA CYS 32 HA CYS 32 1.145 17.876 -11.533 195 HB2 CYS 32 HB2 CYS 32 -1.333 18.373 -10.030 196 HB3 CYS 32 HB1 CYS 32 -1.384 18.947 -11.697 197 H CYS 33 H CYS 33 2.737 19.983 -10.905 198 HA CYS 33 HA CYS 33 1.490 22.249 -12.414 199 HB2 CYS 33 HB2 CYS 33 3.619 22.443 -10.267 200 HB3 CYS 33 HB1 CYS 33 2.864 23.793 -11.112 201 H GLU 34 H GLU 34 2.351 21.716 -14.442 202 HA GLU 34 HA GLU 34 5.317 21.400 -14.582 203 HB2 GLU 34 HB2 GLU 34 4.782 20.542 -16.933 204 HB3 GLU 34 HB1 GLU 34 4.264 19.514 -15.597 205 HG2 GLU 34 HG2 GLU 34 2.017 20.045 -15.879 206 HG3 GLU 34 HG1 GLU 34 2.373 21.590 -16.650 207 H GLN 35 H GLN 35 6.444 23.069 -15.428 208 HA GLN 35 HA GLN 35 6.922 25.077 -16.493 209 HB2 GLN 35 HB2 GLN 35 6.337 25.129 -18.695 210 HB3 GLN 35 HB1 GLN 35 5.707 23.522 -18.360 211 HG2 GLN 35 HG2 GLN 35 3.567 25.061 -17.643 212 HG3 GLN 35 HG1 GLN 35 4.264 26.040 -18.930 213 HE21 GLN 35 1HE2 GLN 35 2.890 22.829 -18.215 214 HE22 GLN 35 2HE2 GLN 35 2.605 22.408 -19.834 215 H CYS 36 H CYS 36 5.212 25.096 -14.182 216 HA CYS 36 HA CYS 36 3.983 26.674 -12.961 217 HB2 CYS 36 HB2 CYS 36 4.460 28.389 -15.419 218 HB3 CYS 36 HB1 CYS 36 3.824 28.970 -13.878 219 H LYS 37 H LYS 37 2.774 24.817 -15.049 220 HA LYS 37 HA LYS 37 0.113 26.165 -15.111 221 HB2 LYS 37 HB2 LYS 37 1.716 25.209 -17.369 222 HB3 LYS 37 HB1 LYS 37 0.101 24.498 -17.331 223 HG2 LYS 37 HG2 LYS 37 -0.708 26.417 -18.182 224 HG3 LYS 37 HG1 LYS 37 -0.237 27.229 -16.688 225 HD2 LYS 37 HD2 LYS 37 1.184 28.446 -17.954 226 HD3 LYS 37 HD1 LYS 37 2.159 26.982 -18.079 227 HE2 LYS 37 HE2 LYS 37 -0.127 27.060 -19.934 228 HE3 LYS 37 HE1 LYS 37 1.076 28.317 -20.222 229 HZ1 LYS 37 HZ1 LYS 37 2.691 26.290 -19.878 230 HZ2 LYS 37 HZ2 LYS 37 2.000 26.625 -21.393 231 HZ3 LYS 37 HZ3 LYS 37 1.341 25.411 -20.403 232 H PHE 38 H PHE 38 -1.687 24.600 -15.143 233 HA PHE 38 HA PHE 38 -1.215 22.378 -13.369 234 HB2 PHE 38 HB2 PHE 38 -3.615 23.012 -15.118 235 HB3 PHE 38 HB1 PHE 38 -3.592 21.817 -13.819 236 HD1 PHE 38 HD1 PHE 38 -1.965 23.185 -11.770 237 HD2 PHE 38 HD2 PHE 38 -5.046 24.719 -14.339 238 HE1 PHE 38 HE1 PHE 38 -2.455 24.969 -10.118 239 HE2 PHE 38 HE2 PHE 38 -5.536 26.503 -12.687 240 HZ PHE 38 HZ PHE 38 -4.240 26.628 -10.577 241 H SER 39 H SER 39 -0.748 20.264 -13.862 242 HA SER 39 HA SER 39 0.250 19.496 -16.375 243 HB2 SER 39 HB2 SER 39 -0.926 17.853 -14.130 244 HB3 SER 39 HB1 SER 39 -0.216 17.117 -15.564 245 HG SER 39 HG SER 39 1.732 17.980 -15.043 246 H ARG 40 H ARG 40 -2.257 17.263 -15.631 247 HA ARG 40 HA ARG 40 -4.037 18.422 -17.708 248 HB2 ARG 40 HB2 ARG 40 -2.721 15.703 -17.798 249 HB3 ARG 40 HB1 ARG 40 -4.191 16.064 -18.705 250 HG2 ARG 40 HG2 ARG 40 -3.057 17.920 -19.846 251 HG3 ARG 40 HG1 ARG 40 -1.591 17.610 -18.914 252 HD2 ARG 40 HD2 ARG 40 -1.790 15.189 -19.879 253 HD3 ARG 40 HD1 ARG 40 -2.834 15.940 -21.086 254 HE ARG 40 HE ARG 40 0.014 16.742 -20.639 255 HH11 ARG 40 1HH1 ARG 40 -1.764 15.108 -22.847 256 HH12 ARG 40 2HH1 ARG 40 -1.476 16.168 -24.186 257 HH21 ARG 40 1HH2 ARG 40 -0.060 18.668 -22.245 258 HH22 ARG 40 2HH2 ARG 40 -0.511 18.183 -23.845 259 H ALA 41 H ALA 41 -6.130 17.077 -17.823 260 HA ALA 41 HA ALA 41 -7.128 16.723 -15.104 261 HB1 ALA 41 HB1 ALA 41 -8.246 17.000 -17.776 262 HB2 ALA 41 HB2 ALA 41 -9.000 17.323 -16.215 263 HB3 ALA 41 HB3 ALA 41 -9.034 15.694 -16.889 264 H GLY 42 H GLY 42 -7.319 14.796 -14.015 265 HA2 GLY 42 HA2 GLY 42 -7.389 12.455 -13.676 266 HA3 GLY 42 HA1 GLY 42 -7.451 12.246 -15.428 267 H LYS 43 H LYS 43 -4.981 14.244 -14.019 268 HA LYS 43 HA LYS 43 -2.902 12.493 -15.116 269 HB2 LYS 43 HB2 LYS 43 -2.420 14.792 -15.372 270 HB3 LYS 43 HB1 LYS 43 -2.923 15.171 -13.726 271 HG2 LYS 43 HG2 LYS 43 -0.493 15.240 -13.845 272 HG3 LYS 43 HG1 LYS 43 -0.977 13.851 -12.875 273 HD2 LYS 43 HD2 LYS 43 -0.407 12.318 -14.535 274 HD3 LYS 43 HD1 LYS 43 -0.579 13.504 -15.829 275 HE2 LYS 43 HE2 LYS 43 1.629 13.919 -15.733 276 HE3 LYS 43 HE1 LYS 43 1.446 14.453 -14.061 277 HZ1 LYS 43 HZ1 LYS 43 1.878 11.662 -14.979 278 HZ2 LYS 43 HZ2 LYS 43 1.611 12.124 -13.366 279 HZ3 LYS 43 HZ3 LYS 43 3.007 12.644 -14.182 280 H ILE 44 H ILE 44 -1.787 10.971 -13.953 281 HA ILE 44 HA ILE 44 -2.580 10.231 -11.322 282 HB ILE 44 HB ILE 44 -0.124 9.614 -12.964 283 HG12 ILE 44 2HG1 ILE 44 -2.432 8.684 -13.524 284 HG13 ILE 44 1HG1 ILE 44 -1.173 7.477 -13.259 285 HG21 ILE 44 1HG2 ILE 44 -0.699 9.037 -10.097 286 HG22 ILE 44 2HG2 ILE 44 0.852 9.223 -10.915 287 HG23 ILE 44 3HG2 ILE 44 -0.045 7.711 -11.059 288 HD11 ILE 44 3HD1 ILE 44 -2.004 6.886 -11.148 289 HD12 ILE 44 1HD1 ILE 44 -3.480 7.167 -12.071 290 HD13 ILE 44 2HD1 ILE 44 -2.884 8.403 -10.963 291 H CYS 45 H CYS 45 -1.649 10.642 -9.307 292 HA CYS 45 HA CYS 45 0.571 12.627 -9.193 293 HB2 CYS 45 HB2 CYS 45 -0.824 13.628 -7.205 294 HB3 CYS 45 HB1 CYS 45 -1.196 14.110 -8.860 295 H ARG 46 H ARG 46 -1.452 10.275 -7.430 296 HA ARG 46 HA ARG 46 0.948 9.670 -5.764 297 HB2 ARG 46 HB2 ARG 46 -1.262 11.013 -4.784 298 HB3 ARG 46 HB1 ARG 46 -1.610 9.336 -4.365 299 HG2 ARG 46 HG2 ARG 46 0.590 9.132 -3.285 300 HG3 ARG 46 HG1 ARG 46 0.970 10.798 -3.726 301 HD2 ARG 46 HD2 ARG 46 -1.392 11.204 -2.489 302 HD3 ARG 46 HD1 ARG 46 -0.858 9.765 -1.619 303 HE ARG 46 HE ARG 46 0.830 12.229 -1.807 304 HH11 ARG 46 1HH2 ARG 46 2.017 9.744 -0.627 305 HH12 ARG 46 2HH2 ARG 46 1.726 9.972 1.066 306 HH21 ARG 46 1HH1 ARG 46 -0.658 12.445 0.592 307 HH22 ARG 46 2HH1 ARG 46 0.209 11.500 1.755 308 H ILE 47 H ILE 47 1.274 7.504 -5.425 309 HA ILE 47 HA ILE 47 -0.907 5.628 -6.160 310 HB ILE 47 HB ILE 47 0.756 6.066 -8.084 311 HG12 ILE 47 2HG1 ILE 47 -0.795 4.137 -7.974 312 HG13 ILE 47 1HG1 ILE 47 0.744 3.688 -8.710 313 HG21 ILE 47 1HG2 ILE 47 2.501 4.224 -6.437 314 HG22 ILE 47 2HG2 ILE 47 2.751 5.969 -6.501 315 HG23 ILE 47 3HG2 ILE 47 2.898 5.002 -7.969 316 HD11 ILE 47 3HD1 ILE 47 -0.408 2.885 -6.090 317 HD12 ILE 47 1HD1 ILE 47 1.333 3.170 -6.133 318 HD13 ILE 47 2HD1 ILE 47 0.609 1.968 -7.202 319 HA PRO 48 HA PRO 48 0.758 4.137 -2.274 320 HB2 PRO 48 HB2 PRO 48 -1.334 2.427 -1.773 321 HB3 PRO 48 HB1 PRO 48 -1.391 4.167 -1.446 322 HG2 PRO 48 HG2 PRO 48 -2.684 2.627 -3.649 323 HG3 PRO 48 HG1 PRO 48 -3.182 4.156 -2.904 324 HD2 PRO 48 HD2 PRO 48 -1.868 3.885 -5.391 325 HD3 PRO 48 HD1 PRO 48 -2.057 5.393 -4.471 326 H ARG 49 H ARG 49 1.962 2.300 -1.771 327 HA ARG 49 HA ARG 49 2.330 0.323 -3.913 328 HB2 ARG 49 HB2 ARG 49 3.979 1.428 -1.959 329 HB3 ARG 49 HB1 ARG 49 3.716 -0.225 -1.401 330 HG2 ARG 49 HG2 ARG 49 5.639 -0.250 -2.861 331 HG3 ARG 49 HG1 ARG 49 4.303 -1.015 -3.724 332 HD2 ARG 49 HD2 ARG 49 3.868 1.011 -4.975 333 HD3 ARG 49 HD1 ARG 49 5.038 1.910 -4.010 334 HE ARG 49 HE ARG 49 6.449 -0.242 -5.153 335 HH11 ARG 49 1HH2 ARG 49 6.969 2.748 -5.539 336 HH12 ARG 49 2HH2 ARG 49 6.839 2.884 -7.262 337 HH21 ARG 49 1HH1 ARG 49 5.268 -0.185 -7.648 338 HH22 ARG 49 2HH1 ARG 49 5.872 1.223 -8.456 339 H LEU 50 H LEU 50 0.411 0.616 -1.115 340 HA LEU 50 HA LEU 50 0.331 -2.185 -0.376 341 HB2 LEU 50 HB2 LEU 50 -1.901 -1.400 0.730 342 HB3 LEU 50 HB1 LEU 50 -0.381 -0.754 1.345 343 HG LEU 50 HG LEU 50 -1.457 0.794 -0.902 344 HD11 LEU 50 1HD1 LEU 50 -3.063 1.800 1.087 345 HD12 LEU 50 2HD1 LEU 50 -3.201 0.062 1.359 346 HD13 LEU 50 3HD1 LEU 50 -3.622 0.745 -0.212 347 HD21 LEU 50 3HD2 LEU 50 0.336 1.178 1.114 348 HD22 LEU 50 1HD2 LEU 50 -1.086 1.970 1.792 349 HD23 LEU 50 2HD2 LEU 50 -0.442 2.495 0.237 350 H ASP 51 H ASP 51 -2.879 -1.106 -0.825 351 HA ASP 51 HA ASP 51 -3.072 -2.408 -3.488 352 HB2 ASP 51 HB2 ASP 51 -4.815 -3.146 -1.116 353 HB3 ASP 51 HB1 ASP 51 -4.916 -3.826 -2.740 354 H MET 52 H MET 52 -3.274 0.366 -2.787 355 HA MET 52 HA MET 52 -6.205 0.884 -2.954 356 HB2 MET 52 HB2 MET 52 -3.893 2.343 -1.864 357 HB3 MET 52 HB1 MET 52 -4.982 3.352 -2.817 358 HG2 MET 52 HG2 MET 52 -6.716 1.801 -1.302 359 HG3 MET 52 HG1 MET 52 -5.398 2.147 -0.182 360 HE1 MET 52 HE1 MET 52 -8.492 3.179 0.080 361 HE2 MET 52 HE2 MET 52 -8.091 4.712 0.850 362 HE3 MET 52 HE3 MET 52 -7.174 3.262 1.257 363 HA PRO 53 HA PRO 53 -5.928 2.143 -7.145 364 HB2 PRO 53 HB2 PRO 53 -7.681 4.261 -7.186 365 HB3 PRO 53 HB1 PRO 53 -8.193 2.569 -7.070 366 HG2 PRO 53 HG2 PRO 53 -8.131 4.661 -4.945 367 HG3 PRO 53 HG1 PRO 53 -9.168 3.232 -5.082 368 HD2 PRO 53 HD2 PRO 53 -6.901 3.474 -3.408 369 HD3 PRO 53 HD1 PRO 53 -7.738 1.961 -3.819 370 H ASP 54 H ASP 54 -5.059 3.796 -8.574 371 HA ASP 54 HA ASP 54 -3.095 5.519 -7.293 372 HB2 ASP 54 HB2 ASP 54 -3.910 5.536 -10.208 373 HB3 ASP 54 HB1 ASP 54 -2.375 6.059 -9.517 374 H ASP 55 H ASP 55 -3.224 7.712 -6.961 375 HA ASP 55 HA ASP 55 -5.855 8.972 -7.221 376 HB2 ASP 55 HB2 ASP 55 -3.372 9.466 -5.780 377 HB3 ASP 55 HB1 ASP 55 -3.996 10.939 -6.520 378 H ARG 56 H ARG 56 -6.085 11.095 -8.370 379 HA ARG 56 HA ARG 56 -4.103 11.507 -10.545 380 HB2 ARG 56 HB2 ARG 56 -7.080 11.195 -11.034 381 HB3 ARG 56 HB1 ARG 56 -5.852 11.538 -12.254 382 HG2 ARG 56 HG2 ARG 56 -4.764 9.325 -11.189 383 HG3 ARG 56 HG1 ARG 56 -6.459 8.987 -10.841 384 HD2 ARG 56 HD2 ARG 56 -6.054 10.018 -13.549 385 HD3 ARG 56 HD1 ARG 56 -5.186 8.511 -13.259 386 HE ARG 56 HE ARG 56 -7.453 7.613 -12.452 387 HH11 ARG 56 1HH1 ARG 56 -7.115 8.022 -15.487 388 HH12 ARG 56 2HH1 ARG 56 -8.641 8.742 -15.880 389 HH21 ARG 56 1HH2 ARG 56 -9.427 9.512 -12.591 390 HH22 ARG 56 2HH2 ARG 56 -9.947 9.591 -14.241 391 H CYS 57 H CYS 57 -4.462 13.610 -11.659 392 HA CYS 57 HA CYS 57 -5.399 15.648 -9.723 393 HB2 CYS 57 HB2 CYS 57 -3.962 15.927 -12.382 394 HB3 CYS 57 HB1 CYS 57 -4.311 17.249 -11.275 395 H THR 58 H THR 58 -6.986 17.221 -10.291 396 HA THR 58 HA THR 58 -9.063 16.244 -12.089 397 HB THR 58 HB THR 58 -10.302 18.239 -11.379 398 HG1 THR 58 HG1 THR 58 -8.982 19.877 -11.149 399 HG21 THR 58 3HG2 THR 58 -10.193 16.295 -9.848 400 HG22 THR 58 1HG2 THR 58 -10.321 17.814 -8.962 401 HG23 THR 58 2HG2 THR 58 -8.765 16.992 -9.083 402 H GLY 59 H GLY 59 -6.231 17.974 -12.584 403 HA2 GLY 59 HA2 GLY 59 -5.597 18.610 -14.858 404 HA3 GLY 59 HA1 GLY 59 -7.291 18.993 -15.178 405 H GLN 60 H GLN 60 -7.599 20.389 -12.583 406 HA GLN 60 HA GLN 60 -6.075 22.868 -13.278 407 HB2 GLN 60 HB2 GLN 60 -8.608 22.872 -11.655 408 HB3 GLN 60 HB1 GLN 60 -7.931 24.155 -12.660 409 HG2 GLN 60 HG2 GLN 60 -8.392 22.762 -14.679 410 HG3 GLN 60 HG1 GLN 60 -9.172 21.569 -13.642 411 HE21 GLN 60 1HE2 GLN 60 -10.840 22.612 -15.523 412 HE22 GLN 60 2HE2 GLN 60 -11.897 23.759 -14.853 413 H SER 61 H SER 61 -6.648 20.479 -10.880 414 HA SER 61 HA SER 61 -5.898 22.136 -8.597 415 HB2 SER 61 HB2 SER 61 -7.201 19.774 -8.790 416 HB3 SER 61 HB1 SER 61 -5.576 19.184 -8.455 417 HG SER 61 HG SER 61 -6.969 19.704 -6.591 418 H ALA 62 H ALA 62 -3.838 22.812 -8.282 419 HA ALA 62 HA ALA 62 -1.604 21.676 -9.735 420 HB1 ALA 62 HB1 ALA 62 -0.452 23.143 -7.726 421 HB2 ALA 62 HB2 ALA 62 -2.049 23.886 -7.826 422 HB3 ALA 62 HB3 ALA 62 -1.014 23.822 -9.253 423 H ASP 63 H ASP 63 -3.131 20.983 -6.706 424 HA ASP 63 HA ASP 63 -0.829 19.221 -5.962 425 HB2 ASP 63 HB2 ASP 63 -3.044 20.307 -4.192 426 HB3 ASP 63 HB1 ASP 63 -1.684 19.318 -3.660 427 H CYS 64 H CYS 64 -1.640 17.184 -4.741 428 HA CYS 64 HA CYS 64 -4.062 16.156 -6.165 429 HB2 CYS 64 HB2 CYS 64 -1.924 15.071 -6.834 430 HB3 CYS 64 HB1 CYS 64 -1.674 14.582 -5.158 431 HA PRO 65 HA PRO 65 -5.410 15.999 -1.901 432 HB2 PRO 65 HB2 PRO 65 -8.049 16.142 -2.614 433 HB3 PRO 65 HB1 PRO 65 -7.026 17.565 -2.402 434 HG2 PRO 65 HG2 PRO 65 -8.053 16.318 -4.902 435 HG3 PRO 65 HG1 PRO 65 -7.552 17.992 -4.609 436 HD2 PRO 65 HD2 PRO 65 -6.035 16.009 -5.932 437 HD3 PRO 65 HD1 PRO 65 -5.434 17.577 -5.352 438 H ARG 66 H ARG 66 -8.045 14.640 -3.775 439 HA ARG 66 HA ARG 66 -7.160 11.865 -3.332 440 HB2 ARG 66 HB2 ARG 66 -8.917 13.222 -1.486 441 HB3 ARG 66 HB1 ARG 66 -9.794 11.922 -2.291 442 HG2 ARG 66 HG2 ARG 66 -8.809 10.530 -0.809 443 HG3 ARG 66 HG1 ARG 66 -7.326 10.778 -1.731 444 HD2 ARG 66 HD2 ARG 66 -6.962 11.244 0.667 445 HD3 ARG 66 HD1 ARG 66 -6.750 12.703 -0.302 446 HE ARG 66 HE ARG 66 -9.394 12.852 0.429 447 HH11 ARG 66 1HH2 ARG 66 -6.751 14.168 1.649 448 HH12 ARG 66 2HH2 ARG 66 -7.153 14.042 3.329 449 HH21 ARG 66 1HH1 ARG 66 -9.802 11.866 2.806 450 HH22 ARG 66 2HH1 ARG 66 -8.881 12.740 3.984 451 H TYR 67 H TYR 67 -8.912 10.332 -4.224 452 HA TYR 67 HA TYR 67 -10.085 11.606 -6.649 453 HB2 TYR 67 HB2 TYR 67 -10.102 9.394 -7.628 454 HB3 TYR 67 HB1 TYR 67 -8.513 9.648 -6.906 455 HD1 TYR 67 HD1 TYR 67 -8.028 8.695 -4.616 456 HD2 TYR 67 HD2 TYR 67 -11.545 7.663 -6.856 457 HE1 TYR 67 HE1 TYR 67 -8.354 6.696 -3.184 458 HE2 TYR 67 HE2 TYR 67 -11.870 5.664 -5.425 459 HH TYR 67 HH TYR 67 -11.258 4.806 -3.302 460 H HIS 68 H HIS 68 -12.258 11.886 -6.729 461 HA HIS 68 HA HIS 68 -14.022 11.365 -4.614 462 HB2 HIS 68 HB2 HIS 68 -14.270 12.622 -7.001 463 HB3 HIS 68 HB1 HIS 68 -15.181 11.150 -7.340 464 HD1 HIS 68 HD1 HIS 68 -17.459 12.426 -7.286 465 HD2 HIS 68 HD2 HIS 68 -15.322 12.626 -3.713 466 HE1 HIS 68 HE1 HIS 68 -19.061 13.327 -5.541 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -12.330 34.567 -9.321 2 H2 GLY 1 HT2 GLY 1 -11.455 34.731 -7.874 3 H3 GLY 1 HT3 GLY 1 -12.700 33.581 -7.990 4 HA2 GLY 1 HA1 GLY 1 -11.303 32.054 -8.730 5 HA3 GLY 1 HA2 GLY 1 -10.845 33.122 -10.056 6 H LYS 2 H LYS 2 -8.718 31.884 -9.412 7 HA LYS 2 HA LYS 2 -7.346 33.279 -7.166 8 HB2 LYS 2 HB2 LYS 2 -6.560 30.832 -8.778 9 HB3 LYS 2 HB1 LYS 2 -5.595 31.528 -7.476 10 HG2 LYS 2 HG2 LYS 2 -8.365 31.117 -6.666 11 HG3 LYS 2 HG1 LYS 2 -7.604 29.614 -7.187 12 HD2 LYS 2 HD2 LYS 2 -5.790 29.904 -5.625 13 HD3 LYS 2 HD1 LYS 2 -6.335 31.531 -5.217 14 HE2 LYS 2 HE2 LYS 2 -8.591 30.200 -4.645 15 HE3 LYS 2 HE1 LYS 2 -7.437 28.894 -4.370 16 HZ1 LYS 2 HZ1 LYS 2 -7.936 30.344 -2.402 17 HZ2 LYS 2 HZ2 LYS 2 -7.112 31.597 -3.201 18 HZ3 LYS 2 HZ3 LYS 2 -6.292 30.171 -2.779 19 H GLU 3 H GLU 3 -5.634 34.657 -7.567 20 HA GLU 3 HA GLU 3 -5.228 35.478 -10.364 21 HB2 GLU 3 HB2 GLU 3 -5.407 37.262 -8.754 22 HB3 GLU 3 HB1 GLU 3 -4.175 36.530 -7.726 23 HG2 GLU 3 HG2 GLU 3 -2.441 37.224 -9.067 24 HG3 GLU 3 HG1 GLU 3 -3.404 37.121 -10.542 25 H CYS 4 H CYS 4 -3.693 33.451 -8.046 26 HA CYS 4 HA CYS 4 -1.180 33.462 -9.641 27 HB2 CYS 4 HB2 CYS 4 -1.818 32.958 -6.809 28 HB3 CYS 4 HB1 CYS 4 -0.681 31.820 -7.510 29 H ASP 5 H ASP 5 -1.403 32.024 -11.306 30 HA ASP 5 HA ASP 5 -2.919 29.529 -10.903 31 HB2 ASP 5 HB2 ASP 5 -2.657 31.119 -13.072 32 HB3 ASP 5 HB1 ASP 5 -1.357 29.971 -13.396 33 H CYS 6 H CYS 6 0.305 30.613 -10.613 34 HA CYS 6 HA CYS 6 1.251 27.773 -10.608 35 HB2 CYS 6 HB2 CYS 6 3.436 28.556 -11.368 36 HB3 CYS 6 HB1 CYS 6 2.201 29.102 -12.501 37 H SER 7 H SER 7 3.095 27.420 -9.083 38 HA SER 7 HA SER 7 2.812 29.205 -6.701 39 HB2 SER 7 HB2 SER 7 2.469 26.455 -6.897 40 HB3 SER 7 HB1 SER 7 4.098 26.614 -6.247 41 HG SER 7 HG SER 7 2.400 26.612 -4.645 42 H SER 8 H SER 8 4.711 29.324 -9.131 43 HA SER 8 HA SER 8 7.202 29.523 -7.496 44 HB2 SER 8 HB2 SER 8 6.715 27.897 -9.851 45 HB3 SER 8 HB1 SER 8 8.014 29.050 -10.141 46 HG SER 8 HG SER 8 9.078 27.487 -9.137 47 HA PRO 9 HA PRO 9 7.112 33.625 -9.176 48 HB2 PRO 9 HB2 PRO 9 9.536 34.418 -8.154 49 HB3 PRO 9 HB1 PRO 9 8.059 34.301 -7.184 50 HG2 PRO 9 HG2 PRO 9 10.425 32.489 -7.224 51 HG3 PRO 9 HG1 PRO 9 9.266 32.790 -5.920 52 HD2 PRO 9 HD2 PRO 9 9.292 30.536 -7.639 53 HD3 PRO 9 HD1 PRO 9 7.973 31.004 -6.545 54 H GLU 10 H GLU 10 9.726 31.347 -9.725 55 HA GLU 10 HA GLU 10 10.768 32.998 -11.968 56 HB2 GLU 10 HB2 GLU 10 11.861 30.891 -10.215 57 HB3 GLU 10 HB1 GLU 10 12.322 30.740 -11.912 58 HG2 GLU 10 HG2 GLU 10 12.530 33.365 -10.431 59 HG3 GLU 10 HG1 GLU 10 13.845 32.189 -10.435 60 H ASN 11 H ASN 11 8.227 32.006 -12.448 61 HA ASN 11 HA ASN 11 8.727 29.689 -14.265 62 HB2 ASN 11 HB2 ASN 11 7.038 29.293 -12.485 63 HB3 ASN 11 HB1 ASN 11 6.099 30.655 -13.097 64 HD21 ASN 11 1HD2 ASN 11 5.829 27.474 -13.106 65 HD22 ASN 11 2HD2 ASN 11 5.291 27.173 -14.688 66 HA PRO 12 HA PRO 12 7.993 32.620 -17.509 67 HB2 PRO 12 HB2 PRO 12 7.995 30.798 -19.567 68 HB3 PRO 12 HB1 PRO 12 9.469 31.380 -18.773 69 HG2 PRO 12 HG2 PRO 12 8.112 28.740 -18.504 70 HG3 PRO 12 HG1 PRO 12 9.818 29.154 -18.266 71 HD2 PRO 12 HD2 PRO 12 7.904 28.752 -16.216 72 HD3 PRO 12 HD1 PRO 12 9.516 29.471 -16.018 73 H CYS 13 H CYS 13 6.119 29.578 -17.458 74 HA CYS 13 HA CYS 13 4.022 30.277 -19.180 75 HB2 CYS 13 HB2 CYS 13 4.519 28.154 -17.554 76 HB3 CYS 13 HB1 CYS 13 3.196 28.925 -16.678 77 H CYS 14 H CYS 14 3.820 30.584 -15.612 78 HA CYS 14 HA CYS 14 1.664 32.547 -15.909 79 HB2 CYS 14 HB2 CYS 14 1.596 32.536 -13.469 80 HB3 CYS 14 HB1 CYS 14 1.680 30.875 -14.055 81 H ASP 15 H ASP 15 1.959 34.723 -15.971 82 HA ASP 15 HA ASP 15 4.637 35.832 -15.956 83 HB2 ASP 15 HB2 ASP 15 1.873 36.845 -16.368 84 HB3 ASP 15 HB1 ASP 15 3.060 38.025 -15.811 85 H ALA 16 H ALA 16 5.643 37.033 -14.336 86 HA ALA 16 HA ALA 16 4.774 36.553 -11.613 87 HB1 ALA 16 HB1 ALA 16 6.751 37.802 -10.967 88 HB2 ALA 16 HB2 ALA 16 6.900 38.481 -12.587 89 HB3 ALA 16 HB3 ALA 16 7.176 36.759 -12.324 90 H ALA 17 H ALA 17 4.270 39.096 -13.926 91 HA ALA 17 HA ALA 17 3.739 41.260 -12.140 92 HB1 ALA 17 HB1 ALA 17 2.121 40.958 -14.637 93 HB2 ALA 17 HB2 ALA 17 3.870 41.118 -14.797 94 HB3 ALA 17 HB3 ALA 17 2.939 42.383 -13.998 95 H THR 18 H THR 18 1.426 39.028 -13.729 96 HA THR 18 HA THR 18 -0.523 39.720 -11.575 97 HB THR 18 HB THR 18 -2.260 38.943 -13.117 98 HG1 THR 18 HG1 THR 18 -1.749 38.056 -15.038 99 HG21 THR 18 3HG2 THR 18 -0.235 40.868 -14.273 100 HG22 THR 18 1HG2 THR 18 -1.704 41.254 -13.378 101 HG23 THR 18 2HG2 THR 18 -1.813 40.590 -15.008 102 H CYS 19 H CYS 19 1.705 37.392 -12.298 103 HA CYS 19 HA CYS 19 1.991 35.178 -11.550 104 HB2 CYS 19 HB2 CYS 19 1.103 36.341 -9.411 105 HB3 CYS 19 HB1 CYS 19 -0.440 35.630 -9.822 106 H LYS 20 H LYS 20 0.635 35.292 -13.947 107 HA LYS 20 HA LYS 20 -1.145 32.959 -13.683 108 HB2 LYS 20 HB2 LYS 20 -2.130 35.678 -14.089 109 HB3 LYS 20 HB1 LYS 20 -2.643 34.582 -15.372 110 HG2 LYS 20 HG2 LYS 20 -2.894 33.225 -12.859 111 HG3 LYS 20 HG1 LYS 20 -3.688 34.795 -12.730 112 HD2 LYS 20 HD2 LYS 20 -4.259 33.522 -15.286 113 HD3 LYS 20 HD1 LYS 20 -4.744 32.501 -13.933 114 HE2 LYS 20 HE2 LYS 20 -5.988 34.401 -12.949 115 HE3 LYS 20 HE1 LYS 20 -5.521 35.407 -14.319 116 HZ1 LYS 20 HZ1 LYS 20 -7.398 34.662 -15.235 117 HZ2 LYS 20 HZ2 LYS 20 -7.544 33.370 -14.141 118 HZ3 LYS 20 HZ3 LYS 20 -6.552 33.218 -15.512 119 H LEU 21 H LEU 21 -1.533 31.925 -15.769 120 HA LEU 21 HA LEU 21 0.738 32.060 -17.518 121 HB2 LEU 21 HB2 LEU 21 -1.914 30.869 -18.333 122 HB3 LEU 21 HB1 LEU 21 -0.292 30.335 -18.762 123 HG LEU 21 HG LEU 21 -0.625 30.334 -15.882 124 HD11 LEU 21 1HD1 LEU 21 -2.566 29.218 -15.550 125 HD12 LEU 21 2HD1 LEU 21 -2.281 28.158 -16.930 126 HD13 LEU 21 3HD1 LEU 21 -3.008 29.746 -17.174 127 HD21 LEU 21 3HD2 LEU 21 -0.136 27.825 -16.383 128 HD22 LEU 21 1HD2 LEU 21 1.102 29.017 -16.778 129 HD23 LEU 21 2HD2 LEU 21 0.070 28.363 -18.050 130 H ARG 22 H ARG 22 1.119 33.823 -18.759 131 HA ARG 22 HA ARG 22 -0.926 35.650 -19.622 132 HB2 ARG 22 HB2 ARG 22 1.735 35.877 -19.350 133 HB3 ARG 22 HB1 ARG 22 1.664 35.566 -21.085 134 HG2 ARG 22 HG2 ARG 22 -0.405 37.427 -20.452 135 HG3 ARG 22 HG1 ARG 22 1.086 38.004 -19.708 136 HD2 ARG 22 HD2 ARG 22 2.257 37.906 -21.824 137 HD3 ARG 22 HD1 ARG 22 0.881 37.121 -22.600 138 HE ARG 22 HE ARG 22 -0.370 39.266 -22.276 139 HH11 ARG 22 1HH2 ARG 22 2.543 39.715 -20.739 140 HH12 ARG 22 2HH2 ARG 22 2.976 41.173 -21.567 141 HH21 ARG 22 1HH1 ARG 22 0.398 40.940 -23.876 142 HH22 ARG 22 2HH1 ARG 22 1.761 41.868 -23.342 143 HA PRO 23 HA PRO 23 -0.342 33.650 -23.919 144 HB2 PRO 23 HB2 PRO 23 0.974 31.238 -24.022 145 HB3 PRO 23 HB1 PRO 23 1.777 32.806 -24.211 146 HG2 PRO 23 HG2 PRO 23 1.804 30.954 -21.875 147 HG3 PRO 23 HG1 PRO 23 3.009 32.156 -22.369 148 HD2 PRO 23 HD2 PRO 23 1.111 32.464 -20.297 149 HD3 PRO 23 HD1 PRO 23 2.091 33.760 -21.013 150 H GLY 24 H GLY 24 -1.028 31.269 -24.922 151 HA2 GLY 24 HA2 GLY 24 -3.503 30.627 -23.507 152 HA3 GLY 24 HA1 GLY 24 -2.986 29.949 -25.051 153 H ALA 25 H ALA 25 -1.395 29.936 -21.840 154 HA ALA 25 HA ALA 25 -0.837 27.070 -22.175 155 HB1 ALA 25 HB1 ALA 25 -0.013 29.213 -20.243 156 HB2 ALA 25 HB2 ALA 25 0.992 28.107 -21.178 157 HB3 ALA 25 HB3 ALA 25 0.132 27.525 -19.752 158 H GLN 26 H GLN 26 -1.229 25.725 -20.050 159 HA GLN 26 HA GLN 26 -4.034 26.282 -19.173 160 HB2 GLN 26 HB2 GLN 26 -3.118 24.070 -20.517 161 HB3 GLN 26 HB1 GLN 26 -2.997 23.539 -18.838 162 HG2 GLN 26 HG2 GLN 26 -5.204 23.025 -19.103 163 HG3 GLN 26 HG1 GLN 26 -5.440 24.749 -18.809 164 HE21 GLN 26 1HE2 GLN 26 -4.662 25.919 -21.198 165 HE22 GLN 26 2HE2 GLN 26 -5.624 25.356 -22.476 166 H CYS 27 H CYS 27 -0.905 24.923 -18.127 167 HA CYS 27 HA CYS 27 -1.451 25.976 -15.416 168 HB2 CYS 27 HB2 CYS 27 -2.273 23.801 -15.041 169 HB3 CYS 27 HB1 CYS 27 -1.107 23.067 -16.135 170 H GLY 28 H GLY 28 0.396 26.823 -14.548 171 HA2 GLY 28 HA2 GLY 28 2.883 26.622 -16.094 172 HA3 GLY 28 HA1 GLY 28 2.628 27.629 -14.669 173 H GLU 29 H GLU 29 1.687 25.641 -12.899 174 HA GLU 29 HA GLU 29 3.858 23.612 -12.811 175 HB2 GLU 29 HB2 GLU 29 4.269 25.858 -11.442 176 HB3 GLU 29 HB1 GLU 29 3.201 25.069 -10.282 177 HG2 GLU 29 HG2 GLU 29 5.400 24.394 -9.669 178 HG3 GLU 29 HG1 GLU 29 4.708 23.012 -10.519 179 H GLY 30 H GLY 30 3.260 21.730 -11.629 180 HA2 GLY 30 HA2 GLY 30 1.221 21.302 -9.832 181 HA3 GLY 30 HA1 GLY 30 0.377 21.323 -11.380 182 H LEU 31 H LEU 31 0.535 19.005 -9.725 183 HA LEU 31 HA LEU 31 2.620 17.202 -10.400 184 HB2 LEU 31 HB2 LEU 31 -0.247 16.846 -9.558 185 HB3 LEU 31 HB1 LEU 31 0.715 15.445 -10.028 186 HG LEU 31 HG LEU 31 2.386 16.926 -8.335 187 HD11 LEU 31 1HD1 LEU 31 0.587 18.257 -7.478 188 HD12 LEU 31 2HD1 LEU 31 0.904 17.016 -6.266 189 HD13 LEU 31 3HD1 LEU 31 -0.475 16.854 -7.354 190 HD21 LEU 31 3HD2 LEU 31 0.708 14.436 -8.018 191 HD22 LEU 31 1HD2 LEU 31 1.785 14.987 -6.735 192 HD23 LEU 31 2HD2 LEU 31 2.443 14.556 -8.314 193 H CYS 32 H CYS 32 -0.377 18.023 -12.109 194 HA CYS 32 HA CYS 32 0.572 16.299 -14.361 195 HB2 CYS 32 HB2 CYS 32 -2.131 16.828 -13.225 196 HB3 CYS 32 HB1 CYS 32 -2.019 16.656 -14.978 197 H CYS 33 H CYS 33 1.882 18.390 -14.753 198 HA CYS 33 HA CYS 33 0.283 20.119 -16.586 199 HB2 CYS 33 HB2 CYS 33 2.396 21.095 -14.632 200 HB3 CYS 33 HB1 CYS 33 1.565 22.093 -15.826 201 H GLU 34 H GLU 34 1.138 19.149 -18.447 202 HA GLU 34 HA GLU 34 4.115 19.117 -18.689 203 HB2 GLU 34 HB2 GLU 34 2.000 17.628 -20.276 204 HB3 GLU 34 HB1 GLU 34 3.739 17.519 -20.553 205 HG2 GLU 34 HG2 GLU 34 2.910 17.070 -17.755 206 HG3 GLU 34 HG1 GLU 34 2.344 15.849 -18.895 207 H GLN 35 H GLN 35 4.988 20.680 -19.946 208 HA GLN 35 HA GLN 35 5.179 22.352 -21.576 209 HB2 GLN 35 HB2 GLN 35 3.467 20.269 -22.755 210 HB3 GLN 35 HB1 GLN 35 3.237 21.868 -23.466 211 HG2 GLN 35 HG2 GLN 35 5.357 21.939 -24.337 212 HG3 GLN 35 HG1 GLN 35 6.049 21.021 -23.000 213 HE21 GLN 35 1HE2 GLN 35 5.070 20.787 -26.258 214 HE22 GLN 35 2HE2 GLN 35 5.051 19.094 -26.380 215 H CYS 36 H CYS 36 3.699 23.069 -19.349 216 HA CYS 36 HA CYS 36 2.160 24.686 -18.637 217 HB2 CYS 36 HB2 CYS 36 2.559 25.379 -21.538 218 HB3 CYS 36 HB1 CYS 36 1.327 26.220 -20.595 219 H LYS 37 H LYS 37 1.354 21.992 -20.038 220 HA LYS 37 HA LYS 37 -1.546 22.701 -20.220 221 HB2 LYS 37 HB2 LYS 37 -0.041 20.652 -21.877 222 HB3 LYS 37 HB1 LYS 37 -1.784 20.918 -21.928 223 HG2 LYS 37 HG2 LYS 37 0.056 23.250 -22.352 224 HG3 LYS 37 HG1 LYS 37 -0.220 22.122 -23.679 225 HD2 LYS 37 HD2 LYS 37 -2.503 22.616 -23.800 226 HD3 LYS 37 HD1 LYS 37 -2.559 23.224 -22.146 227 HE2 LYS 37 HE2 LYS 37 -1.198 25.175 -22.821 228 HE3 LYS 37 HE1 LYS 37 -1.168 24.573 -24.479 229 HZ1 LYS 37 HZ1 LYS 37 -3.137 26.120 -23.243 230 HZ2 LYS 37 HZ2 LYS 37 -3.823 24.603 -23.585 231 HZ3 LYS 37 HZ3 LYS 37 -3.119 25.521 -24.830 232 H PHE 38 H PHE 38 -2.977 20.811 -19.702 233 HA PHE 38 HA PHE 38 -2.055 19.497 -17.282 234 HB2 PHE 38 HB2 PHE 38 -4.560 18.974 -18.911 235 HB3 PHE 38 HB1 PHE 38 -4.278 18.474 -17.245 236 HD1 PHE 38 HD1 PHE 38 -2.628 21.434 -17.237 237 HD2 PHE 38 HD2 PHE 38 -6.653 19.988 -17.652 238 HE1 PHE 38 HE1 PHE 38 -3.494 23.615 -16.440 239 HE2 PHE 38 HE2 PHE 38 -7.517 22.171 -16.853 240 HZ PHE 38 HZ PHE 38 -5.939 23.984 -16.248 241 H SER 39 H SER 39 -1.564 17.291 -17.000 242 HA SER 39 HA SER 39 -0.299 15.941 -19.159 243 HB2 SER 39 HB2 SER 39 -1.322 14.979 -16.484 244 HB3 SER 39 HB1 SER 39 -0.501 13.905 -17.612 245 HG SER 39 HG SER 39 0.479 16.281 -16.410 246 H ARG 40 H ARG 40 -2.490 13.727 -17.732 247 HA ARG 40 HA ARG 40 -4.381 13.952 -20.013 248 HB2 ARG 40 HB2 ARG 40 -2.751 11.507 -19.286 249 HB3 ARG 40 HB1 ARG 40 -4.203 11.428 -20.283 250 HG2 ARG 40 HG2 ARG 40 -3.225 12.595 -22.044 251 HG3 ARG 40 HG1 ARG 40 -2.046 13.387 -20.997 252 HD2 ARG 40 HD2 ARG 40 -0.577 11.821 -21.701 253 HD3 ARG 40 HD1 ARG 40 -1.469 10.689 -20.684 254 HE ARG 40 HE ARG 40 -2.736 10.004 -22.681 255 HH11 ARG 40 1HH1 ARG 40 -1.967 12.688 -24.090 256 HH12 ARG 40 2HH1 ARG 40 -0.948 12.075 -25.350 257 HH21 ARG 40 1HH2 ARG 40 -0.591 8.945 -23.902 258 HH22 ARG 40 2HH2 ARG 40 -0.169 9.956 -25.243 259 H ALA 41 H ALA 41 -6.198 12.199 -19.633 260 HA ALA 41 HA ALA 41 -7.221 12.659 -16.934 261 HB1 ALA 41 HB1 ALA 41 -8.705 12.652 -18.940 262 HB2 ALA 41 HB2 ALA 41 -9.217 11.484 -17.721 263 HB3 ALA 41 HB3 ALA 41 -8.356 10.937 -19.160 264 H GLY 42 H GLY 42 -7.353 11.134 -15.285 265 HA2 GLY 42 HA2 GLY 42 -6.956 9.114 -14.141 266 HA3 GLY 42 HA1 GLY 42 -6.891 8.308 -15.709 267 H LYS 43 H LYS 43 -4.846 11.044 -15.333 268 HA LYS 43 HA LYS 43 -2.461 9.443 -15.716 269 HB2 LYS 43 HB2 LYS 43 -2.359 11.608 -16.658 270 HB3 LYS 43 HB1 LYS 43 -2.995 12.368 -15.203 271 HG2 LYS 43 HG2 LYS 43 -0.583 12.792 -15.401 272 HG3 LYS 43 HG1 LYS 43 -0.915 11.779 -13.996 273 HD2 LYS 43 HD2 LYS 43 -0.127 9.827 -15.061 274 HD3 LYS 43 HD1 LYS 43 -0.251 10.547 -16.666 275 HE2 LYS 43 HE2 LYS 43 2.109 10.392 -15.808 276 HE3 LYS 43 HE1 LYS 43 1.606 12.033 -16.212 277 HZ1 LYS 43 HZ1 LYS 43 2.765 11.565 -13.963 278 HZ2 LYS 43 HZ2 LYS 43 1.230 11.025 -13.475 279 HZ3 LYS 43 HZ3 LYS 43 1.440 12.622 -14.013 280 H ILE 44 H ILE 44 -1.373 8.396 -14.116 281 HA ILE 44 HA ILE 44 -2.103 8.539 -11.372 282 HB ILE 44 HB ILE 44 0.416 7.561 -12.732 283 HG12 ILE 44 2HG1 ILE 44 -1.804 6.381 -13.088 284 HG13 ILE 44 1HG1 ILE 44 -0.539 5.377 -12.380 285 HG21 ILE 44 1HG2 ILE 44 -0.284 7.819 -9.844 286 HG22 ILE 44 2HG2 ILE 44 1.296 7.869 -10.625 287 HG23 ILE 44 3HG2 ILE 44 0.496 6.321 -10.353 288 HD11 ILE 44 3HD1 ILE 44 -1.551 5.324 -10.302 289 HD12 ILE 44 1HD1 ILE 44 -2.982 5.463 -11.322 290 HD13 ILE 44 2HD1 ILE 44 -2.327 6.892 -10.523 291 H CYS 45 H CYS 45 -1.730 10.121 -9.940 292 HA CYS 45 HA CYS 45 0.560 11.983 -10.433 293 HB2 CYS 45 HB2 CYS 45 -0.839 13.473 -8.797 294 HB3 CYS 45 HB1 CYS 45 -1.345 13.347 -10.481 295 H ARG 46 H ARG 46 -0.944 9.806 -8.162 296 HA ARG 46 HA ARG 46 1.452 9.959 -6.459 297 HB2 ARG 46 HB2 ARG 46 -0.937 11.366 -5.767 298 HB3 ARG 46 HB1 ARG 46 -0.781 9.994 -4.670 299 HG2 ARG 46 HG2 ARG 46 1.563 10.671 -4.190 300 HG3 ARG 46 HG1 ARG 46 1.348 12.080 -5.230 301 HD2 ARG 46 HD2 ARG 46 -0.570 12.789 -3.777 302 HD3 ARG 46 HD1 ARG 46 -0.183 11.456 -2.689 303 HE ARG 46 HE ARG 46 1.536 13.843 -3.154 304 HH11 ARG 46 1HH2 ARG 46 0.068 12.502 -0.638 305 HH12 ARG 46 2HH2 ARG 46 1.476 12.073 0.275 306 HH21 ARG 46 1HH1 ARG 46 3.672 12.609 -2.355 307 HH22 ARG 46 2HH1 ARG 46 3.517 12.134 -0.697 308 H ILE 47 H ILE 47 1.788 8.005 -5.349 309 HA ILE 47 HA ILE 47 -0.335 5.943 -5.715 310 HB ILE 47 HB ILE 47 2.068 5.977 -7.063 311 HG12 ILE 47 2HG1 ILE 47 0.366 3.607 -6.245 312 HG13 ILE 47 1HG1 ILE 47 0.116 4.643 -7.651 313 HG21 ILE 47 1HG2 ILE 47 2.349 4.073 -4.719 314 HG22 ILE 47 2HG2 ILE 47 3.345 5.500 -5.010 315 HG23 ILE 47 3HG2 ILE 47 3.413 4.134 -6.124 316 HD11 ILE 47 3HD1 ILE 47 1.297 2.934 -8.659 317 HD12 ILE 47 1HD1 ILE 47 2.187 2.542 -7.188 318 HD13 ILE 47 2HD1 ILE 47 2.645 3.950 -8.147 319 HA PRO 48 HA PRO 48 0.423 5.763 -1.296 320 HB2 PRO 48 HB2 PRO 48 -1.842 4.310 -0.743 321 HB3 PRO 48 HB1 PRO 48 -1.853 6.062 -1.011 322 HG2 PRO 48 HG2 PRO 48 -2.797 3.887 -2.809 323 HG3 PRO 48 HG1 PRO 48 -3.287 5.587 -2.755 324 HD2 PRO 48 HD2 PRO 48 -1.487 4.400 -4.621 325 HD3 PRO 48 HD1 PRO 48 -1.809 6.136 -4.414 326 H ARG 49 H ARG 49 -1.230 2.845 -2.491 327 HA ARG 49 HA ARG 49 1.156 1.176 -2.170 328 HB2 ARG 49 HB2 ARG 49 0.257 1.442 0.168 329 HB3 ARG 49 HB1 ARG 49 -1.249 0.708 -0.377 330 HG2 ARG 49 HG2 ARG 49 0.505 -0.833 0.741 331 HG3 ARG 49 HG1 ARG 49 -0.226 -1.385 -0.761 332 HD2 ARG 49 HD2 ARG 49 2.317 -1.609 -0.595 333 HD3 ARG 49 HD1 ARG 49 1.702 -0.796 -2.033 334 HE ARG 49 HE ARG 49 2.142 1.316 -0.378 335 HH11 ARG 49 1HH2 ARG 49 4.020 -0.019 -2.569 336 HH12 ARG 49 2HH2 ARG 49 5.533 0.113 -1.737 337 HH21 ARG 49 1HH1 ARG 49 4.087 0.864 1.324 338 HH22 ARG 49 2HH1 ARG 49 5.571 0.614 0.467 339 H LEU 50 H LEU 50 0.980 -0.433 -3.690 340 HA LEU 50 HA LEU 50 -1.069 -0.599 -5.562 341 HB2 LEU 50 HB2 LEU 50 0.725 -2.818 -4.569 342 HB3 LEU 50 HB1 LEU 50 -0.266 -2.919 -6.023 343 HG LEU 50 HG LEU 50 1.688 -2.179 -6.946 344 HD11 LEU 50 1HD1 LEU 50 -0.072 -0.428 -7.327 345 HD12 LEU 50 2HD1 LEU 50 1.579 0.176 -7.458 346 HD13 LEU 50 3HD1 LEU 50 0.640 0.489 -6.000 347 HD21 LEU 50 3HD2 LEU 50 2.658 -0.142 -5.161 348 HD22 LEU 50 1HD2 LEU 50 3.444 -1.644 -5.646 349 HD23 LEU 50 2HD2 LEU 50 2.352 -1.627 -4.262 350 H ASP 51 H ASP 51 -1.100 -1.811 -2.324 351 HA ASP 51 HA ASP 51 -3.309 -3.663 -2.764 352 HB2 ASP 51 HB2 ASP 51 -1.687 -3.807 -0.824 353 HB3 ASP 51 HB1 ASP 51 -2.444 -2.357 -0.165 354 H MET 52 H MET 52 -3.165 -0.479 -3.256 355 HA MET 52 HA MET 52 -6.021 -0.077 -2.550 356 HB2 MET 52 HB2 MET 52 -3.731 1.237 -1.280 357 HB3 MET 52 HB1 MET 52 -4.857 2.391 -1.989 358 HG2 MET 52 HG2 MET 52 -6.692 0.937 -0.821 359 HG3 MET 52 HG1 MET 52 -5.352 0.345 0.162 360 HE1 MET 52 HE1 MET 52 -7.861 2.486 -0.607 361 HE2 MET 52 HE2 MET 52 -7.227 4.129 -0.666 362 HE3 MET 52 HE3 MET 52 -7.997 3.542 0.806 363 HA PRO 53 HA PRO 53 -6.080 2.093 -6.368 364 HB2 PRO 53 HB2 PRO 53 -7.589 4.331 -5.835 365 HB3 PRO 53 HB1 PRO 53 -8.266 2.699 -5.982 366 HG2 PRO 53 HG2 PRO 53 -7.785 4.321 -3.525 367 HG3 PRO 53 HG1 PRO 53 -8.990 3.054 -3.814 368 HD2 PRO 53 HD2 PRO 53 -6.592 2.738 -2.369 369 HD3 PRO 53 HD1 PRO 53 -7.606 1.418 -2.986 370 H ASP 54 H ASP 54 -4.818 3.544 -7.520 371 HA ASP 54 HA ASP 54 -2.946 5.227 -5.978 372 HB2 ASP 54 HB2 ASP 54 -3.019 5.011 -8.981 373 HB3 ASP 54 HB1 ASP 54 -1.630 5.279 -7.926 374 H ASP 55 H ASP 55 -2.649 7.506 -6.488 375 HA ASP 55 HA ASP 55 -5.177 8.883 -7.009 376 HB2 ASP 55 HB2 ASP 55 -2.408 9.678 -6.199 377 HB3 ASP 55 HB1 ASP 55 -3.443 10.909 -6.923 378 H ARG 56 H ARG 56 -5.825 9.649 -8.987 379 HA ARG 56 HA ARG 56 -3.740 9.862 -11.119 380 HB2 ARG 56 HB2 ARG 56 -6.552 8.760 -11.386 381 HB3 ARG 56 HB1 ARG 56 -5.452 9.047 -12.734 382 HG2 ARG 56 HG2 ARG 56 -3.854 7.447 -11.830 383 HG3 ARG 56 HG1 ARG 56 -4.845 7.225 -10.388 384 HD2 ARG 56 HD2 ARG 56 -5.698 6.569 -13.223 385 HD3 ARG 56 HD1 ARG 56 -5.214 5.393 -12.002 386 HE ARG 56 HE ARG 56 -7.588 7.168 -11.601 387 HH11 ARG 56 1HH2 ARG 56 -8.296 4.684 -12.988 388 HH12 ARG 56 2HH2 ARG 56 -8.609 3.577 -11.692 389 HH21 ARG 56 1HH1 ARG 56 -6.994 5.506 -9.304 390 HH22 ARG 56 2HH1 ARG 56 -7.873 4.044 -9.606 391 H CYS 57 H CYS 57 -4.068 11.559 -12.634 392 HA CYS 57 HA CYS 57 -5.597 13.829 -11.624 393 HB2 CYS 57 HB2 CYS 57 -4.165 13.482 -14.277 394 HB3 CYS 57 HB1 CYS 57 -4.720 15.007 -13.592 395 H THR 58 H THR 58 -7.513 14.668 -12.514 396 HA THR 58 HA THR 58 -9.236 12.779 -13.871 397 HB THR 58 HB THR 58 -10.919 14.469 -13.736 398 HG1 THR 58 HG1 THR 58 -10.247 16.349 -14.374 399 HG21 THR 58 3HG2 THR 58 -10.712 13.840 -11.538 400 HG22 THR 58 1HG2 THR 58 -10.237 15.529 -11.365 401 HG23 THR 58 2HG2 THR 58 -9.004 14.272 -11.465 402 H GLY 59 H GLY 59 -6.760 14.684 -15.033 403 HA2 GLY 59 HA2 GLY 59 -6.124 14.827 -17.338 404 HA3 GLY 59 HA1 GLY 59 -7.774 14.398 -17.795 405 H GLN 60 H GLN 60 -9.067 16.355 -16.104 406 HA GLN 60 HA GLN 60 -8.588 18.747 -17.779 407 HB2 GLN 60 HB2 GLN 60 -10.737 18.247 -15.698 408 HB3 GLN 60 HB1 GLN 60 -10.709 19.550 -16.885 409 HG2 GLN 60 HG2 GLN 60 -11.673 18.217 -18.418 410 HG3 GLN 60 HG1 GLN 60 -10.371 17.039 -18.243 411 HE21 GLN 60 1HE2 GLN 60 -11.561 15.087 -18.082 412 HE22 GLN 60 2HE2 GLN 60 -12.734 14.795 -16.889 413 H SER 61 H SER 61 -7.861 17.545 -14.646 414 HA SER 61 HA SER 61 -7.389 20.283 -13.582 415 HB2 SER 61 HB2 SER 61 -6.956 19.097 -11.432 416 HB3 SER 61 HB1 SER 61 -8.554 18.744 -12.082 417 HG SER 61 HG SER 61 -7.973 16.740 -12.404 418 H ALA 62 H ALA 62 -5.307 21.022 -13.147 419 HA ALA 62 HA ALA 62 -3.126 19.571 -14.478 420 HB1 ALA 62 HB1 ALA 62 -2.220 21.878 -13.019 421 HB2 ALA 62 HB2 ALA 62 -3.705 22.284 -13.880 422 HB3 ALA 62 HB3 ALA 62 -2.317 21.649 -14.764 423 H ASP 63 H ASP 63 -3.992 20.547 -11.168 424 HA ASP 63 HA ASP 63 -1.604 19.127 -10.131 425 HB2 ASP 63 HB2 ASP 63 -3.698 20.467 -8.430 426 HB3 ASP 63 HB1 ASP 63 -1.982 20.238 -8.093 427 H CYS 64 H CYS 64 -2.012 17.679 -8.178 428 HA CYS 64 HA CYS 64 -4.419 15.987 -8.709 429 HB2 CYS 64 HB2 CYS 64 -2.166 14.924 -9.077 430 HB3 CYS 64 HB1 CYS 64 -1.822 15.177 -7.368 431 HA PRO 65 HA PRO 65 -5.502 17.542 -4.681 432 HB2 PRO 65 HB2 PRO 65 -8.125 16.801 -4.939 433 HB3 PRO 65 HB1 PRO 65 -7.475 18.304 -5.588 434 HG2 PRO 65 HG2 PRO 65 -8.280 15.818 -7.007 435 HG3 PRO 65 HG1 PRO 65 -8.185 17.478 -7.619 436 HD2 PRO 65 HD2 PRO 65 -6.292 15.423 -8.071 437 HD3 PRO 65 HD1 PRO 65 -6.070 17.152 -8.415 438 H ARG 66 H ARG 66 -7.864 14.994 -5.082 439 HA ARG 66 HA ARG 66 -6.258 12.941 -3.769 440 HB2 ARG 66 HB2 ARG 66 -7.643 12.848 -1.715 441 HB3 ARG 66 HB1 ARG 66 -6.774 14.378 -1.842 442 HG2 ARG 66 HG2 ARG 66 -9.322 14.560 -3.201 443 HG3 ARG 66 HG1 ARG 66 -9.553 14.032 -1.535 444 HD2 ARG 66 HD2 ARG 66 -7.901 16.435 -2.364 445 HD3 ARG 66 HD1 ARG 66 -9.553 16.516 -1.755 446 HE ARG 66 HE ARG 66 -7.718 15.098 0.026 447 HH11 ARG 66 1HH1 ARG 66 -10.029 17.481 -0.200 448 HH12 ARG 66 2HH1 ARG 66 -9.325 18.540 0.975 449 HH21 ARG 66 1HH2 ARG 66 -6.376 16.739 1.228 450 HH22 ARG 66 2HH2 ARG 66 -7.260 18.122 1.782 451 H TYR 67 H TYR 67 -8.239 11.319 -2.780 452 HA TYR 67 HA TYR 67 -9.970 10.892 -5.183 453 HB2 TYR 67 HB2 TYR 67 -8.438 9.054 -4.952 454 HB3 TYR 67 HB1 TYR 67 -8.754 8.933 -3.220 455 HD1 TYR 67 HD1 TYR 67 -11.094 8.289 -2.444 456 HD2 TYR 67 HD2 TYR 67 -9.806 7.924 -6.526 457 HE1 TYR 67 HE1 TYR 67 -12.962 6.723 -2.893 458 HE2 TYR 67 HE2 TYR 67 -11.676 6.357 -6.975 459 HH TYR 67 HH TYR 67 -14.195 6.067 -5.613 460 H HIS 68 H HIS 68 -9.850 10.942 -1.653 461 HA HIS 68 HA HIS 68 -12.548 10.086 -1.197 462 HB2 HIS 68 HB2 HIS 68 -10.494 10.523 0.451 463 HB3 HIS 68 HB1 HIS 68 -11.286 12.088 0.627 464 HD1 HIS 68 HD1 HIS 68 -11.491 8.598 1.719 465 HD2 HIS 68 HD2 HIS 68 -14.117 11.826 1.478 466 HE1 HIS 68 HE1 HIS 68 -13.482 8.012 3.171 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 0.557 31.771 6.815 2 H2 GLY 1 HT2 GLY 1 -0.129 31.761 8.369 3 H3 GLY 1 HT3 GLY 1 -1.118 31.951 7.001 4 HA2 GLY 1 HA1 GLY 1 0.388 29.523 7.796 5 HA3 GLY 1 HA2 GLY 1 -1.364 29.723 7.768 6 H LYS 2 H LYS 2 -2.077 30.669 5.453 7 HA LYS 2 HA LYS 2 -0.907 28.780 3.468 8 HB2 LYS 2 HB2 LYS 2 -3.490 30.331 3.196 9 HB3 LYS 2 HB1 LYS 2 -2.993 28.889 2.310 10 HG2 LYS 2 HG2 LYS 2 -3.053 28.608 5.260 11 HG3 LYS 2 HG1 LYS 2 -4.623 28.819 4.486 12 HD2 LYS 2 HD2 LYS 2 -3.324 27.006 2.827 13 HD3 LYS 2 HD1 LYS 2 -2.836 26.507 4.446 14 HE2 LYS 2 HE2 LYS 2 -5.720 27.143 3.870 15 HE3 LYS 2 HE1 LYS 2 -5.062 25.559 3.458 16 HZ1 LYS 2 HZ1 LYS 2 -5.494 26.771 6.081 17 HZ2 LYS 2 HZ2 LYS 2 -4.140 25.760 5.902 18 HZ3 LYS 2 HZ3 LYS 2 -5.698 25.163 5.583 19 H GLU 3 H GLU 3 0.185 31.494 4.244 20 HA GLU 3 HA GLU 3 -0.277 33.118 1.832 21 HB2 GLU 3 HB2 GLU 3 0.785 33.552 4.491 22 HB3 GLU 3 HB1 GLU 3 1.905 34.165 3.273 23 HG2 GLU 3 HG2 GLU 3 -0.192 35.229 2.181 24 HG3 GLU 3 HG1 GLU 3 -0.974 34.935 3.735 25 H CYS 4 H CYS 4 1.357 30.373 2.197 26 HA CYS 4 HA CYS 4 3.582 31.319 0.447 27 HB2 CYS 4 HB2 CYS 4 4.554 30.587 2.541 28 HB3 CYS 4 HB1 CYS 4 3.613 29.097 2.504 29 H ASP 5 H ASP 5 3.939 30.134 -1.432 30 HA ASP 5 HA ASP 5 1.972 27.942 -1.960 31 HB2 ASP 5 HB2 ASP 5 1.942 30.231 -3.273 32 HB3 ASP 5 HB1 ASP 5 3.283 29.506 -4.160 33 H CYS 6 H CYS 6 5.254 28.632 -1.547 34 HA CYS 6 HA CYS 6 5.955 26.014 -2.789 35 HB2 CYS 6 HB2 CYS 6 7.360 28.654 -3.230 36 HB3 CYS 6 HB1 CYS 6 8.123 27.098 -3.559 37 H SER 7 H SER 7 7.351 24.819 -1.514 38 HA SER 7 HA SER 7 8.223 26.080 1.032 39 HB2 SER 7 HB2 SER 7 6.974 23.892 1.067 40 HB3 SER 7 HB1 SER 7 8.333 23.158 0.221 41 HG SER 7 HG SER 7 8.823 24.656 2.537 42 H SER 8 H SER 8 9.483 26.229 -1.816 43 HA SER 8 HA SER 8 12.215 25.329 -1.003 44 HB2 SER 8 HB2 SER 8 11.247 25.900 -3.815 45 HB3 SER 8 HB1 SER 8 12.763 25.137 -3.345 46 HG SER 8 HG SER 8 11.383 23.501 -2.325 47 HA PRO 9 HA PRO 9 13.179 29.651 -0.930 48 HB2 PRO 9 HB2 PRO 9 15.887 29.347 -0.584 49 HB3 PRO 9 HB1 PRO 9 14.705 29.123 0.716 50 HG2 PRO 9 HG2 PRO 9 16.246 27.067 -0.793 51 HG3 PRO 9 HG1 PRO 9 15.558 26.979 0.837 52 HD2 PRO 9 HD2 PRO 9 14.455 25.823 -1.510 53 HD3 PRO 9 HD1 PRO 9 13.643 25.991 0.062 54 H GLU 10 H GLU 10 13.711 27.625 -3.472 55 HA GLU 10 HA GLU 10 15.177 29.743 -4.994 56 HB2 GLU 10 HB2 GLU 10 16.011 27.793 -6.431 57 HB3 GLU 10 HB1 GLU 10 16.713 27.928 -4.819 58 HG2 GLU 10 HG2 GLU 10 15.672 26.035 -4.057 59 HG3 GLU 10 HG1 GLU 10 14.230 26.310 -5.038 60 H ASN 11 H ASN 11 12.208 28.702 -4.594 61 HA ASN 11 HA ASN 11 11.319 27.738 -7.116 62 HB2 ASN 11 HB2 ASN 11 10.039 28.056 -4.838 63 HB3 ASN 11 HB1 ASN 11 9.625 29.630 -5.516 64 HD21 ASN 11 1HD2 ASN 11 9.157 26.149 -5.886 65 HD22 ASN 11 2HD2 ASN 11 7.940 26.254 -7.064 66 HA PRO 12 HA PRO 12 11.974 31.372 -9.545 67 HB2 PRO 12 HB2 PRO 12 10.705 30.467 -11.806 68 HB3 PRO 12 HB1 PRO 12 12.324 29.947 -11.314 69 HG2 PRO 12 HG2 PRO 12 9.753 28.451 -11.168 70 HG3 PRO 12 HG1 PRO 12 11.409 27.829 -11.269 71 HD2 PRO 12 HD2 PRO 12 9.812 27.975 -8.924 72 HD3 PRO 12 HD1 PRO 12 11.552 27.619 -8.994 73 H CYS 13 H CYS 13 8.725 29.992 -9.183 74 HA CYS 13 HA CYS 13 7.509 32.557 -10.061 75 HB2 CYS 13 HB2 CYS 13 6.658 29.763 -9.913 76 HB3 CYS 13 HB1 CYS 13 5.450 30.877 -9.271 77 H CYS 14 H CYS 14 7.608 30.435 -7.204 78 HA CYS 14 HA CYS 14 5.985 32.219 -5.595 79 HB2 CYS 14 HB2 CYS 14 7.840 29.975 -4.791 80 HB3 CYS 14 HB1 CYS 14 6.696 30.776 -3.715 81 H ASP 15 H ASP 15 6.718 34.211 -5.061 82 HA ASP 15 HA ASP 15 9.431 35.038 -5.016 83 HB2 ASP 15 HB2 ASP 15 6.878 36.174 -4.359 84 HB3 ASP 15 HB1 ASP 15 7.996 36.516 -3.040 85 H ALA 16 H ALA 16 10.999 34.262 -3.689 86 HA ALA 16 HA ALA 16 10.531 32.616 -1.427 87 HB1 ALA 16 HB1 ALA 16 12.722 33.175 -2.861 88 HB2 ALA 16 HB2 ALA 16 12.826 32.533 -1.221 89 HB3 ALA 16 HB3 ALA 16 13.018 34.263 -1.504 90 H ALA 17 H ALA 17 10.830 36.116 -1.706 91 HA ALA 17 HA ALA 17 11.212 36.706 1.058 92 HB1 ALA 17 HB1 ALA 17 11.134 38.223 -1.163 93 HB2 ALA 17 HB2 ALA 17 10.906 38.901 0.450 94 HB3 ALA 17 HB3 ALA 17 9.507 38.535 -0.559 95 H THR 18 H THR 18 8.230 36.262 -0.845 96 HA THR 18 HA THR 18 6.685 36.407 1.705 97 HB THR 18 HB THR 18 5.755 37.896 0.098 98 HG1 THR 18 HG1 THR 18 4.143 36.689 1.020 99 HG21 THR 18 3HG2 THR 18 6.579 37.485 -1.993 100 HG22 THR 18 1HG2 THR 18 5.054 36.619 -2.182 101 HG23 THR 18 2HG2 THR 18 6.527 35.735 -1.780 102 H CYS 19 H CYS 19 7.976 34.174 -0.491 103 HA CYS 19 HA CYS 19 7.758 31.829 -0.561 104 HB2 CYS 19 HB2 CYS 19 7.238 32.358 1.992 105 HB3 CYS 19 HB1 CYS 19 5.603 31.907 1.519 106 H LYS 20 H LYS 20 5.814 33.922 -1.814 107 HA LYS 20 HA LYS 20 3.787 31.888 -2.664 108 HB2 LYS 20 HB2 LYS 20 3.349 34.461 -1.354 109 HB3 LYS 20 HB1 LYS 20 2.495 34.345 -2.892 110 HG2 LYS 20 HG2 LYS 20 2.380 32.019 -1.005 111 HG3 LYS 20 HG1 LYS 20 1.385 33.435 -0.666 112 HD2 LYS 20 HD2 LYS 20 1.285 32.630 -3.481 113 HD3 LYS 20 HD1 LYS 20 0.701 31.375 -2.388 114 HE2 LYS 20 HE2 LYS 20 -1.175 32.538 -1.911 115 HE3 LYS 20 HE1 LYS 20 -0.264 34.020 -1.623 116 HZ1 LYS 20 HZ1 LYS 20 -0.259 33.378 -4.377 117 HZ2 LYS 20 HZ2 LYS 20 -0.837 34.777 -3.605 118 HZ3 LYS 20 HZ3 LYS 20 -1.854 33.430 -3.804 119 H LEU 21 H LEU 21 2.926 32.268 -4.839 120 HA LEU 21 HA LEU 21 4.919 33.085 -6.724 121 HB2 LEU 21 HB2 LEU 21 2.022 33.014 -7.468 122 HB3 LEU 21 HB1 LEU 21 3.419 32.461 -8.383 123 HG LEU 21 HG LEU 21 3.510 30.901 -6.095 124 HD11 LEU 21 1HD1 LEU 21 0.963 30.002 -6.507 125 HD12 LEU 21 2HD1 LEU 21 0.735 31.743 -6.667 126 HD13 LEU 21 3HD1 LEU 21 1.427 31.077 -5.189 127 HD21 LEU 21 3HD2 LEU 21 3.623 29.315 -7.701 128 HD22 LEU 21 1HD2 LEU 21 3.316 30.594 -8.875 129 HD23 LEU 21 2HD2 LEU 21 1.974 29.651 -8.229 130 H ARG 22 H ARG 22 5.565 35.128 -7.009 131 HA ARG 22 HA ARG 22 3.964 37.403 -6.234 132 HB2 ARG 22 HB2 ARG 22 6.384 37.546 -6.140 133 HB3 ARG 22 HB1 ARG 22 6.509 37.234 -7.870 134 HG2 ARG 22 HG2 ARG 22 4.691 39.425 -7.416 135 HG3 ARG 22 HG1 ARG 22 6.222 39.744 -6.601 136 HD2 ARG 22 HD2 ARG 22 7.464 39.521 -8.618 137 HD3 ARG 22 HD1 ARG 22 6.103 38.777 -9.460 138 HE ARG 22 HE ARG 22 5.373 41.409 -8.577 139 HH11 ARG 22 1HH2 ARG 22 6.000 39.550 -11.262 140 HH12 ARG 22 2HH2 ARG 22 6.520 40.853 -12.279 141 HH21 ARG 22 1HH1 ARG 22 6.610 43.176 -9.705 142 HH22 ARG 22 2HH1 ARG 22 6.863 42.907 -11.398 143 HA PRO 23 HA PRO 23 3.369 37.978 -10.946 144 HB2 PRO 23 HB2 PRO 23 3.851 35.800 -12.551 145 HB3 PRO 23 HB1 PRO 23 5.069 37.031 -12.178 146 HG2 PRO 23 HG2 PRO 23 4.830 34.252 -11.131 147 HG3 PRO 23 HG1 PRO 23 6.271 35.268 -11.295 148 HD2 PRO 23 HD2 PRO 23 4.848 34.772 -8.903 149 HD3 PRO 23 HD1 PRO 23 6.086 36.020 -9.143 150 H GLY 24 H GLY 24 1.601 37.196 -12.482 151 HA2 GLY 24 HA2 GLY 24 -0.623 36.168 -11.019 152 HA3 GLY 24 HA1 GLY 24 -0.565 36.348 -12.773 153 H ALA 25 H ALA 25 0.512 34.202 -10.138 154 HA ALA 25 HA ALA 25 0.369 31.934 -12.088 155 HB1 ALA 25 HB1 ALA 25 2.256 32.536 -9.833 156 HB2 ALA 25 HB2 ALA 25 2.612 31.929 -11.449 157 HB3 ALA 25 HB3 ALA 25 1.914 30.854 -10.237 158 H GLN 26 H GLN 26 -0.307 29.849 -11.044 159 HA GLN 26 HA GLN 26 -2.452 30.392 -9.064 160 HB2 GLN 26 HB2 GLN 26 -2.410 28.833 -11.342 161 HB3 GLN 26 HB1 GLN 26 -2.168 27.640 -10.066 162 HG2 GLN 26 HG2 GLN 26 -4.468 27.719 -10.026 163 HG3 GLN 26 HG1 GLN 26 -4.138 29.053 -8.919 164 HE21 GLN 26 1HE2 GLN 26 -5.906 28.272 -11.668 165 HE22 GLN 26 2HE2 GLN 26 -6.122 29.834 -12.296 166 H CYS 27 H CYS 27 0.088 27.918 -9.587 167 HA CYS 27 HA CYS 27 0.666 28.001 -6.685 168 HB2 CYS 27 HB2 CYS 27 0.675 25.406 -6.760 169 HB3 CYS 27 HB1 CYS 27 -0.884 26.221 -6.635 170 H GLY 28 H GLY 28 2.791 27.156 -6.199 171 HA2 GLY 28 HA2 GLY 28 4.486 26.811 -8.638 172 HA3 GLY 28 HA1 GLY 28 5.052 27.619 -7.185 173 H GLU 29 H GLU 29 3.410 25.383 -5.715 174 HA GLU 29 HA GLU 29 5.274 23.113 -6.194 175 HB2 GLU 29 HB2 GLU 29 6.063 24.655 -4.284 176 HB3 GLU 29 HB1 GLU 29 4.662 24.060 -3.392 177 HG2 GLU 29 HG2 GLU 29 5.754 21.731 -4.388 178 HG3 GLU 29 HG1 GLU 29 7.187 22.697 -4.031 179 H GLY 30 H GLY 30 4.389 21.075 -5.560 180 HA2 GLY 30 HA2 GLY 30 2.266 20.350 -4.048 181 HA3 GLY 30 HA1 GLY 30 1.444 21.076 -5.428 182 H LEU 31 H LEU 31 0.701 18.648 -5.399 183 HA LEU 31 HA LEU 31 2.672 16.880 -6.738 184 HB2 LEU 31 HB2 LEU 31 0.048 16.487 -5.351 185 HB3 LEU 31 HB1 LEU 31 0.529 15.311 -6.573 186 HG LEU 31 HG LEU 31 1.277 14.711 -4.248 187 HD11 LEU 31 1HD1 LEU 31 2.699 13.563 -5.592 188 HD12 LEU 31 2HD1 LEU 31 3.879 14.803 -5.162 189 HD13 LEU 31 3HD1 LEU 31 2.949 14.950 -6.654 190 HD21 LEU 31 3HD2 LEU 31 3.186 17.039 -4.598 191 HD22 LEU 31 1HD2 LEU 31 3.011 16.001 -3.183 192 HD23 LEU 31 2HD2 LEU 31 1.726 17.129 -3.614 193 H CYS 32 H CYS 32 0.118 19.014 -7.520 194 HA CYS 32 HA CYS 32 0.151 17.985 -10.315 195 HB2 CYS 32 HB2 CYS 32 -2.423 18.931 -9.070 196 HB3 CYS 32 HB1 CYS 32 -2.193 17.944 -10.512 197 H CYS 33 H CYS 33 1.696 20.022 -9.972 198 HA CYS 33 HA CYS 33 0.156 22.335 -11.005 199 HB2 CYS 33 HB2 CYS 33 0.412 22.629 -8.516 200 HB3 CYS 33 HB1 CYS 33 2.160 22.621 -8.748 201 H GLU 34 H GLU 34 1.225 23.203 -12.722 202 HA GLU 34 HA GLU 34 4.180 23.028 -12.841 203 HB2 GLU 34 HB2 GLU 34 2.268 21.676 -14.723 204 HB3 GLU 34 HB1 GLU 34 3.806 22.283 -15.335 205 HG2 GLU 34 HG2 GLU 34 4.787 21.038 -13.224 206 HG3 GLU 34 HG1 GLU 34 3.290 20.112 -13.333 207 H GLN 35 H GLN 35 5.083 24.558 -14.377 208 HA GLN 35 HA GLN 35 5.131 26.638 -15.467 209 HB2 GLN 35 HB2 GLN 35 2.271 25.881 -16.149 210 HB3 GLN 35 HB1 GLN 35 3.193 27.178 -16.909 211 HG2 GLN 35 HG2 GLN 35 4.858 25.546 -17.701 212 HG3 GLN 35 HG1 GLN 35 3.954 24.243 -16.930 213 HE21 GLN 35 1HE2 GLN 35 4.296 23.985 -19.653 214 HE22 GLN 35 2HE2 GLN 35 2.852 24.327 -20.478 215 H CYS 36 H CYS 36 4.142 26.297 -12.641 216 HA CYS 36 HA CYS 36 3.444 27.772 -10.955 217 HB2 CYS 36 HB2 CYS 36 3.037 29.802 -13.170 218 HB3 CYS 36 HB1 CYS 36 3.241 30.123 -11.447 219 H LYS 37 H LYS 37 1.611 26.049 -12.552 220 HA LYS 37 HA LYS 37 -0.887 27.216 -11.550 221 HB2 LYS 37 HB2 LYS 37 -2.053 27.317 -13.622 222 HB3 LYS 37 HB1 LYS 37 -0.516 28.127 -13.920 223 HG2 LYS 37 HG2 LYS 37 0.399 26.081 -14.915 224 HG3 LYS 37 HG1 LYS 37 -1.105 25.225 -14.569 225 HD2 LYS 37 HD2 LYS 37 -1.247 25.898 -16.861 226 HD3 LYS 37 HD1 LYS 37 -2.290 27.002 -15.963 227 HE2 LYS 37 HE2 LYS 37 -0.875 28.797 -16.252 228 HE3 LYS 37 HE1 LYS 37 0.570 27.787 -16.294 229 HZ1 LYS 37 HZ1 LYS 37 -1.183 28.596 -18.448 230 HZ2 LYS 37 HZ2 LYS 37 -0.728 26.959 -18.481 231 HZ3 LYS 37 HZ3 LYS 37 0.459 28.175 -18.484 232 H PHE 38 H PHE 38 -2.760 25.565 -12.214 233 HA PHE 38 HA PHE 38 -1.968 23.004 -11.157 234 HB2 PHE 38 HB2 PHE 38 -4.522 23.716 -12.630 235 HB3 PHE 38 HB1 PHE 38 -4.278 22.335 -11.559 236 HD1 PHE 38 HD1 PHE 38 -2.730 23.514 -9.353 237 HD2 PHE 38 HD2 PHE 38 -6.078 25.100 -11.526 238 HE1 PHE 38 HE1 PHE 38 -3.333 24.918 -7.398 239 HE2 PHE 38 HE2 PHE 38 -6.680 26.504 -9.572 240 HZ PHE 38 HZ PHE 38 -5.308 26.412 -7.509 241 H SER 39 H SER 39 -2.044 20.943 -12.283 242 HA SER 39 HA SER 39 -0.929 21.124 -14.980 243 HB2 SER 39 HB2 SER 39 -1.527 18.802 -13.138 244 HB3 SER 39 HB1 SER 39 -0.884 18.587 -14.764 245 HG SER 39 HG SER 39 0.818 20.070 -14.085 246 H ARG 40 H ARG 40 -2.987 18.400 -14.490 247 HA ARG 40 HA ARG 40 -5.162 19.655 -16.079 248 HB2 ARG 40 HB2 ARG 40 -3.440 17.327 -16.888 249 HB3 ARG 40 HB1 ARG 40 -5.121 17.399 -17.421 250 HG2 ARG 40 HG2 ARG 40 -4.300 18.651 -19.130 251 HG3 ARG 40 HG1 ARG 40 -4.282 19.955 -17.941 252 HD2 ARG 40 HD2 ARG 40 -2.086 19.983 -18.774 253 HD3 ARG 40 HD1 ARG 40 -1.934 19.022 -17.302 254 HE ARG 40 HE ARG 40 -2.492 17.231 -19.425 255 HH11 ARG 40 1HH2 ARG 40 -0.300 19.774 -19.509 256 HH12 ARG 40 2HH2 ARG 40 1.102 18.788 -19.761 257 HH21 ARG 40 1HH1 ARG 40 -0.585 15.800 -19.264 258 HH22 ARG 40 2HH1 ARG 40 0.941 16.539 -19.616 259 H ALA 41 H ALA 41 -7.005 17.913 -16.314 260 HA ALA 41 HA ALA 41 -7.598 16.987 -13.596 261 HB1 ALA 41 HB1 ALA 41 -9.287 16.412 -16.026 262 HB2 ALA 41 HB2 ALA 41 -9.245 18.030 -15.324 263 HB3 ALA 41 HB3 ALA 41 -9.803 16.665 -14.357 264 H GLY 42 H GLY 42 -7.896 14.789 -12.998 265 HA2 GLY 42 HA2 GLY 42 -7.597 12.458 -13.131 266 HA3 GLY 42 HA1 GLY 42 -7.618 12.617 -14.888 267 H LYS 43 H LYS 43 -5.408 14.330 -12.728 268 HA LYS 43 HA LYS 43 -3.139 13.116 -14.200 269 HB2 LYS 43 HB2 LYS 43 -2.870 15.450 -14.034 270 HB3 LYS 43 HB1 LYS 43 -3.461 15.493 -12.375 271 HG2 LYS 43 HG2 LYS 43 -1.036 15.817 -12.388 272 HG3 LYS 43 HG1 LYS 43 -1.418 14.262 -11.648 273 HD2 LYS 43 HD2 LYS 43 0.233 13.579 -13.112 274 HD3 LYS 43 HD1 LYS 43 -1.170 13.421 -14.170 275 HE2 LYS 43 HE2 LYS 43 0.110 14.724 -15.554 276 HE3 LYS 43 HE1 LYS 43 -0.599 16.022 -14.594 277 HZ1 LYS 43 HZ1 LYS 43 2.105 15.251 -14.792 278 HZ2 LYS 43 HZ2 LYS 43 1.594 15.070 -13.182 279 HZ3 LYS 43 HZ3 LYS 43 1.436 16.571 -13.963 280 H ILE 44 H ILE 44 -2.117 11.369 -13.341 281 HA ILE 44 HA ILE 44 -2.760 10.260 -10.798 282 HB ILE 44 HB ILE 44 -0.372 9.888 -12.617 283 HG12 ILE 44 2HG1 ILE 44 -2.697 9.103 -13.300 284 HG13 ILE 44 1HG1 ILE 44 -1.468 7.839 -13.238 285 HG21 ILE 44 1HG2 ILE 44 0.408 9.359 -10.397 286 HG22 ILE 44 2HG2 ILE 44 0.052 7.830 -11.201 287 HG23 ILE 44 3HG2 ILE 44 -1.082 8.492 -10.023 288 HD11 ILE 44 3HD1 ILE 44 -2.629 8.102 -10.631 289 HD12 ILE 44 1HD1 ILE 44 -2.680 6.712 -11.716 290 HD13 ILE 44 2HD1 ILE 44 -3.932 7.951 -11.810 291 H CYS 45 H CYS 45 -2.231 11.044 -8.827 292 HA CYS 45 HA CYS 45 0.270 12.669 -8.595 293 HB2 CYS 45 HB2 CYS 45 -1.109 13.578 -6.504 294 HB3 CYS 45 HB1 CYS 45 -1.298 14.275 -8.110 295 H ARG 46 H ARG 46 -1.279 9.821 -7.613 296 HA ARG 46 HA ARG 46 0.837 9.308 -5.656 297 HB2 ARG 46 HB2 ARG 46 -1.740 10.261 -4.788 298 HB3 ARG 46 HB1 ARG 46 -1.513 8.599 -4.241 299 HG2 ARG 46 HG2 ARG 46 0.398 9.127 -2.998 300 HG3 ARG 46 HG1 ARG 46 0.718 10.590 -3.931 301 HD2 ARG 46 HD2 ARG 46 -0.995 11.800 -2.850 302 HD3 ARG 46 HD1 ARG 46 -1.779 10.334 -2.262 303 HE ARG 46 HE ARG 46 0.262 10.076 -0.752 304 HH11 ARG 46 1HH2 ARG 46 1.737 12.431 -1.961 305 HH12 ARG 46 2HH2 ARG 46 1.428 13.669 -0.788 306 HH21 ARG 46 1HH1 ARG 46 -1.190 11.962 0.715 307 HH22 ARG 46 2HH1 ARG 46 -0.231 13.405 0.725 308 H ILE 47 H ILE 47 1.348 7.191 -5.713 309 HA ILE 47 HA ILE 47 -0.723 5.228 -6.527 310 HB ILE 47 HB ILE 47 0.617 6.019 -8.537 311 HG12 ILE 47 2HG1 ILE 47 -0.550 3.781 -8.332 312 HG13 ILE 47 1HG1 ILE 47 0.799 3.813 -9.467 313 HG21 ILE 47 1HG2 ILE 47 2.898 4.323 -7.970 314 HG22 ILE 47 2HG2 ILE 47 2.773 5.627 -6.789 315 HG23 ILE 47 3HG2 ILE 47 2.861 6.002 -8.510 316 HD11 ILE 47 3HD1 ILE 47 2.245 2.997 -7.502 317 HD12 ILE 47 1HD1 ILE 47 1.124 1.833 -8.207 318 HD13 ILE 47 2HD1 ILE 47 0.722 2.636 -6.690 319 HA PRO 48 HA PRO 48 1.913 3.842 -3.010 320 HB2 PRO 48 HB2 PRO 48 -0.188 3.416 -1.291 321 HB3 PRO 48 HB1 PRO 48 0.658 4.968 -1.438 322 HG2 PRO 48 HG2 PRO 48 -2.042 4.205 -2.433 323 HG3 PRO 48 HG1 PRO 48 -1.411 5.807 -2.024 324 HD2 PRO 48 HD2 PRO 48 -1.712 4.741 -4.641 325 HD3 PRO 48 HD1 PRO 48 -0.830 6.220 -4.201 326 H ARG 49 H ARG 49 2.430 1.690 -2.984 327 HA ARG 49 HA ARG 49 0.695 -0.259 -4.279 328 HB2 ARG 49 HB2 ARG 49 3.460 -0.059 -3.599 329 HB3 ARG 49 HB1 ARG 49 2.825 -1.520 -2.837 330 HG2 ARG 49 HG2 ARG 49 2.301 -2.514 -4.856 331 HG3 ARG 49 HG1 ARG 49 2.034 -0.969 -5.666 332 HD2 ARG 49 HD2 ARG 49 4.071 -1.398 -6.600 333 HD3 ARG 49 HD1 ARG 49 4.683 -0.765 -5.071 334 HE ARG 49 HE ARG 49 4.215 -3.695 -5.430 335 HH11 ARG 49 1HH2 ARG 49 6.827 -2.212 -6.301 336 HH12 ARG 49 2HH2 ARG 49 7.845 -2.597 -4.954 337 HH21 ARG 49 1HH1 ARG 49 5.229 -3.671 -2.946 338 HH22 ARG 49 2HH1 ARG 49 6.940 -3.427 -3.056 339 H LEU 50 H LEU 50 0.520 1.104 -1.301 340 HA LEU 50 HA LEU 50 0.338 -0.961 0.578 341 HB2 LEU 50 HB2 LEU 50 -0.804 0.539 1.921 342 HB3 LEU 50 HB1 LEU 50 -0.116 1.654 0.747 343 HG LEU 50 HG LEU 50 -2.915 0.485 0.647 344 HD11 LEU 50 1HD1 LEU 50 -1.869 2.644 2.131 345 HD12 LEU 50 2HD1 LEU 50 -3.570 2.273 1.850 346 HD13 LEU 50 3HD1 LEU 50 -2.714 3.369 0.764 347 HD21 LEU 50 3HD2 LEU 50 -1.240 1.691 -1.374 348 HD22 LEU 50 1HD2 LEU 50 -2.622 2.735 -1.047 349 HD23 LEU 50 2HD2 LEU 50 -2.877 1.059 -1.533 350 H ASP 51 H ASP 51 -1.676 -0.316 -2.145 351 HA ASP 51 HA ASP 51 -2.967 -2.269 -3.025 352 HB2 ASP 51 HB2 ASP 51 -2.926 -3.538 -0.908 353 HB3 ASP 51 HB1 ASP 51 -4.027 -2.366 -0.184 354 H MET 52 H MET 52 -3.356 0.145 -3.774 355 HA MET 52 HA MET 52 -6.258 0.552 -3.594 356 HB2 MET 52 HB2 MET 52 -6.255 2.674 -2.583 357 HB3 MET 52 HB1 MET 52 -5.046 1.809 -1.646 358 HG2 MET 52 HG2 MET 52 -3.245 2.846 -2.831 359 HG3 MET 52 HG1 MET 52 -4.334 3.508 -4.048 360 HE1 MET 52 HE1 MET 52 -5.975 3.650 -0.500 361 HE2 MET 52 HE2 MET 52 -4.772 4.591 0.375 362 HE3 MET 52 HE3 MET 52 -4.327 3.035 -0.320 363 HA PRO 53 HA PRO 53 -5.618 2.084 -7.651 364 HB2 PRO 53 HB2 PRO 53 -7.532 4.049 -7.851 365 HB3 PRO 53 HB1 PRO 53 -7.897 2.315 -7.867 366 HG2 PRO 53 HG2 PRO 53 -8.316 4.301 -5.684 367 HG3 PRO 53 HG1 PRO 53 -9.175 2.784 -6.003 368 HD2 PRO 53 HD2 PRO 53 -7.173 3.179 -4.044 369 HD3 PRO 53 HD1 PRO 53 -7.805 1.611 -4.586 370 H ASP 54 H ASP 54 -4.573 3.737 -8.850 371 HA ASP 54 HA ASP 54 -2.874 5.521 -7.435 372 HB2 ASP 54 HB2 ASP 54 -3.791 5.751 -10.316 373 HB3 ASP 54 HB1 ASP 54 -2.339 6.470 -9.621 374 H ASP 55 H ASP 55 -3.160 7.600 -6.729 375 HA ASP 55 HA ASP 55 -5.860 8.732 -6.819 376 HB2 ASP 55 HB2 ASP 55 -3.284 9.382 -5.447 377 HB3 ASP 55 HB1 ASP 55 -4.459 10.683 -5.648 378 H ARG 56 H ARG 56 -6.553 10.134 -8.369 379 HA ARG 56 HA ARG 56 -4.490 11.345 -10.151 380 HB2 ARG 56 HB2 ARG 56 -7.475 11.085 -10.623 381 HB3 ARG 56 HB1 ARG 56 -6.255 11.566 -11.803 382 HG2 ARG 56 HG2 ARG 56 -5.490 9.064 -10.597 383 HG3 ARG 56 HG1 ARG 56 -7.135 8.939 -11.222 384 HD2 ARG 56 HD2 ARG 56 -6.262 9.992 -13.374 385 HD3 ARG 56 HD1 ARG 56 -4.639 9.735 -12.734 386 HE ARG 56 HE ARG 56 -5.876 7.250 -12.519 387 HH11 ARG 56 1HH2 ARG 56 -7.041 8.814 -15.066 388 HH12 ARG 56 2HH2 ARG 56 -6.163 7.975 -16.300 389 HH21 ARG 56 1HH1 ARG 56 -3.961 6.472 -14.083 390 HH22 ARG 56 2HH1 ARG 56 -4.419 6.651 -15.744 391 H CYS 57 H CYS 57 -4.753 13.604 -10.761 392 HA CYS 57 HA CYS 57 -5.729 15.236 -8.517 393 HB2 CYS 57 HB2 CYS 57 -4.610 16.277 -11.122 394 HB3 CYS 57 HB1 CYS 57 -4.576 17.043 -9.534 395 H THR 58 H THR 58 -7.337 16.881 -8.740 396 HA THR 58 HA THR 58 -9.506 16.171 -10.551 397 HB THR 58 HB THR 58 -10.657 18.125 -9.487 398 HG1 THR 58 HG1 THR 58 -8.409 18.290 -7.806 399 HG21 THR 58 3HG2 THR 58 -9.971 15.662 -8.377 400 HG22 THR 58 1HG2 THR 58 -11.226 16.753 -7.791 401 HG23 THR 58 2HG2 THR 58 -9.605 16.823 -7.100 402 H GLY 59 H GLY 59 -6.739 18.071 -10.853 403 HA2 GLY 59 HA2 GLY 59 -6.115 19.191 -12.881 404 HA3 GLY 59 HA1 GLY 59 -7.818 19.279 -13.328 405 H GLN 60 H GLN 60 -8.515 20.270 -10.580 406 HA GLN 60 HA GLN 60 -7.696 23.099 -11.040 407 HB2 GLN 60 HB2 GLN 60 -9.995 21.930 -9.443 408 HB3 GLN 60 HB1 GLN 60 -9.654 23.652 -9.606 409 HG2 GLN 60 HG2 GLN 60 -9.660 22.946 -12.217 410 HG3 GLN 60 HG1 GLN 60 -10.796 21.754 -11.585 411 HE21 GLN 60 1HE2 GLN 60 -11.654 23.888 -13.316 412 HE22 GLN 60 2HE2 GLN 60 -12.659 24.923 -12.419 413 H SER 61 H SER 61 -7.523 20.461 -8.758 414 HA SER 61 HA SER 61 -6.549 22.224 -6.596 415 HB2 SER 61 HB2 SER 61 -6.691 20.351 -5.196 416 HB3 SER 61 HB1 SER 61 -7.987 20.048 -6.350 417 HG SER 61 HG SER 61 -6.498 18.260 -5.966 418 H ALA 62 H ALA 62 -4.390 22.379 -5.977 419 HA ALA 62 HA ALA 62 -2.411 21.475 -7.949 420 HB1 ALA 62 HB1 ALA 62 -1.315 22.620 -5.502 421 HB2 ALA 62 HB2 ALA 62 -2.585 23.636 -6.184 422 HB3 ALA 62 HB3 ALA 62 -1.183 23.201 -7.162 423 H ASP 63 H ASP 63 -3.145 20.869 -4.513 424 HA ASP 63 HA ASP 63 -1.057 18.795 -4.379 425 HB2 ASP 63 HB2 ASP 63 -3.165 19.576 -2.340 426 HB3 ASP 63 HB1 ASP 63 -1.769 18.539 -2.045 427 H CYS 64 H CYS 64 -1.819 16.593 -3.410 428 HA CYS 64 HA CYS 64 -4.329 15.778 -4.817 429 HB2 CYS 64 HB2 CYS 64 -2.149 14.916 -5.778 430 HB3 CYS 64 HB1 CYS 64 -1.931 14.015 -4.278 431 HA PRO 65 HA PRO 65 -5.456 14.731 -0.655 432 HB2 PRO 65 HB2 PRO 65 -8.089 14.364 -1.301 433 HB3 PRO 65 HB1 PRO 65 -7.383 15.950 -0.988 434 HG2 PRO 65 HG2 PRO 65 -8.232 14.727 -3.560 435 HG3 PRO 65 HG1 PRO 65 -8.058 16.438 -3.136 436 HD2 PRO 65 HD2 PRO 65 -6.230 14.885 -4.651 437 HD3 PRO 65 HD1 PRO 65 -5.946 16.513 -3.997 438 H ARG 66 H ARG 66 -7.491 12.874 -0.206 439 HA ARG 66 HA ARG 66 -6.677 10.437 -1.725 440 HB2 ARG 66 HB2 ARG 66 -6.582 9.172 0.404 441 HB3 ARG 66 HB1 ARG 66 -5.381 10.463 0.370 442 HG2 ARG 66 HG2 ARG 66 -8.071 11.122 1.478 443 HG3 ARG 66 HG1 ARG 66 -7.011 10.117 2.466 444 HD2 ARG 66 HD2 ARG 66 -5.508 12.303 1.322 445 HD3 ARG 66 HD1 ARG 66 -6.918 12.925 2.181 446 HE ARG 66 HE ARG 66 -5.624 10.942 3.794 447 HH11 ARG 66 1HH2 ARG 66 -6.016 14.249 3.174 448 HH12 ARG 66 2HH2 ARG 66 -4.742 14.763 4.228 449 HH21 ARG 66 1HH1 ARG 66 -3.640 11.545 4.900 450 HH22 ARG 66 2HH1 ARG 66 -3.395 13.232 5.204 451 H TYR 67 H TYR 67 -8.348 8.886 -1.918 452 HA TYR 67 HA TYR 67 -10.993 9.725 -0.797 453 HB2 TYR 67 HB2 TYR 67 -11.021 10.188 -3.173 454 HB3 TYR 67 HB1 TYR 67 -10.360 8.592 -3.537 455 HD1 TYR 67 HD2 TYR 67 -12.971 9.457 -1.023 456 HD2 TYR 67 HD1 TYR 67 -12.105 7.582 -4.788 457 HE1 TYR 67 HE2 TYR 67 -15.264 8.515 -1.080 458 HE2 TYR 67 HE1 TYR 67 -14.397 6.640 -4.846 459 HH TYR 67 HH TYR 67 -16.332 6.449 -3.788 460 H HIS 68 H HIS 68 -11.784 8.187 0.549 461 HA HIS 68 HA HIS 68 -11.555 5.345 -0.159 462 HB2 HIS 68 HB2 HIS 68 -10.380 4.655 1.820 463 HB3 HIS 68 HB1 HIS 68 -9.421 5.940 1.086 464 HD1 HIS 68 HD1 HIS 68 -9.724 8.383 2.182 465 HD2 HIS 68 HD2 HIS 68 -11.258 5.208 4.407 466 HE1 HIS 68 HE1 HIS 68 -10.091 9.263 4.529 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -3.129 34.720 -2.935 2 H2 GLY 1 HT2 GLY 1 -3.071 33.511 -1.742 3 H3 GLY 1 HT3 GLY 1 -3.815 33.198 -3.237 4 HA2 GLY 1 HA1 GLY 1 -1.081 34.066 -3.477 5 HA3 GLY 1 HA2 GLY 1 -1.275 32.543 -2.608 6 H LYS 2 H LYS 2 -3.424 33.746 -5.151 7 HA LYS 2 HA LYS 2 -2.727 31.317 -6.738 8 HB2 LYS 2 HB2 LYS 2 -5.197 33.000 -6.469 9 HB3 LYS 2 HB1 LYS 2 -4.927 32.109 -7.966 10 HG2 LYS 2 HG2 LYS 2 -4.885 30.014 -6.835 11 HG3 LYS 2 HG1 LYS 2 -4.738 30.786 -5.256 12 HD2 LYS 2 HD2 LYS 2 -6.987 30.555 -5.124 13 HD3 LYS 2 HD1 LYS 2 -7.056 31.906 -6.255 14 HE2 LYS 2 HE2 LYS 2 -7.796 30.585 -7.929 15 HE3 LYS 2 HE1 LYS 2 -6.556 29.372 -7.612 16 HZ1 LYS 2 HZ1 LYS 2 -8.915 29.666 -5.857 17 HZ2 LYS 2 HZ2 LYS 2 -7.870 28.335 -6.015 18 HZ3 LYS 2 HZ3 LYS 2 -8.969 28.707 -7.256 19 H GLU 3 H GLU 3 -1.247 33.953 -6.671 20 HA GLU 3 HA GLU 3 -1.776 35.087 -9.334 21 HB2 GLU 3 HB2 GLU 3 0.252 36.510 -8.752 22 HB3 GLU 3 HB1 GLU 3 -1.123 36.676 -7.659 23 HG2 GLU 3 HG2 GLU 3 -0.102 35.351 -5.985 24 HG3 GLU 3 HG1 GLU 3 1.083 34.690 -7.113 25 H CYS 4 H CYS 4 0.166 32.620 -7.953 26 HA CYS 4 HA CYS 4 1.891 32.586 -10.390 27 HB2 CYS 4 HB2 CYS 4 2.315 31.321 -7.667 28 HB3 CYS 4 HB1 CYS 4 3.390 31.103 -9.046 29 H ASP 5 H ASP 5 1.327 31.071 -11.874 30 HA ASP 5 HA ASP 5 -0.270 28.730 -10.936 31 HB2 ASP 5 HB2 ASP 5 -1.131 30.391 -12.746 32 HB3 ASP 5 HB1 ASP 5 0.013 29.577 -13.812 33 H CYS 6 H CYS 6 2.798 29.206 -11.116 34 HA CYS 6 HA CYS 6 3.385 26.508 -12.095 35 HB2 CYS 6 HB2 CYS 6 4.948 27.135 -13.813 36 HB3 CYS 6 HB1 CYS 6 3.442 27.985 -14.153 37 H SER 7 H SER 7 5.470 25.779 -11.377 38 HA SER 7 HA SER 7 6.603 27.499 -9.221 39 HB2 SER 7 HB2 SER 7 6.083 24.644 -9.498 40 HB3 SER 7 HB1 SER 7 7.748 24.958 -9.017 41 HG SER 7 HG SER 7 6.937 26.237 -7.319 42 H SER 8 H SER 8 7.207 26.724 -12.388 43 HA SER 8 HA SER 8 10.161 26.690 -12.027 44 HB2 SER 8 HB2 SER 8 8.426 25.354 -13.813 45 HB3 SER 8 HB1 SER 8 9.312 26.529 -14.781 46 HG SER 8 HG SER 8 11.236 25.681 -13.921 47 HA PRO 9 HA PRO 9 10.020 30.992 -13.181 48 HB2 PRO 9 HB2 PRO 9 12.735 31.397 -13.016 49 HB3 PRO 9 HB1 PRO 9 11.666 31.342 -11.604 50 HG2 PRO 9 HG2 PRO 9 13.603 29.293 -12.571 51 HG3 PRO 9 HG1 PRO 9 12.996 29.577 -10.931 52 HD2 PRO 9 HD2 PRO 9 12.131 27.535 -12.702 53 HD3 PRO 9 HD1 PRO 9 11.334 28.020 -11.190 54 H GLU 10 H GLU 10 11.194 28.400 -14.961 55 HA GLU 10 HA GLU 10 12.148 30.156 -17.180 56 HB2 GLU 10 HB2 GLU 10 12.534 27.183 -16.715 57 HB3 GLU 10 HB1 GLU 10 13.130 28.069 -18.119 58 HG2 GLU 10 HG2 GLU 10 13.824 29.001 -15.343 59 HG3 GLU 10 HG1 GLU 10 14.738 27.691 -16.092 60 H ASN 11 H ASN 11 9.571 28.113 -16.170 61 HA ASN 11 HA ASN 11 8.574 27.032 -18.541 62 HB2 ASN 11 HB2 ASN 11 7.614 27.134 -16.049 63 HB3 ASN 11 HB1 ASN 11 6.619 28.410 -16.754 64 HD21 ASN 11 1HD2 ASN 11 7.076 24.971 -16.572 65 HD22 ASN 11 2HD2 ASN 11 5.850 24.539 -17.662 66 HA PRO 12 HA PRO 12 7.862 30.719 -20.924 67 HB2 PRO 12 HB2 PRO 12 6.763 29.443 -23.094 68 HB3 PRO 12 HB1 PRO 12 8.504 29.495 -22.768 69 HG2 PRO 12 HG2 PRO 12 6.598 27.229 -22.425 70 HG3 PRO 12 HG1 PRO 12 8.343 27.190 -22.729 71 HD2 PRO 12 HD2 PRO 12 7.088 26.770 -20.228 72 HD3 PRO 12 HD1 PRO 12 8.820 27.070 -20.491 73 H CYS 13 H CYS 13 5.348 28.253 -20.444 74 HA CYS 13 HA CYS 13 3.106 29.719 -21.350 75 HB2 CYS 13 HB2 CYS 13 3.459 27.257 -20.231 76 HB3 CYS 13 HB1 CYS 13 2.683 28.117 -18.900 77 H CYS 14 H CYS 14 4.143 29.388 -17.927 78 HA CYS 14 HA CYS 14 2.530 31.719 -17.204 79 HB2 CYS 14 HB2 CYS 14 3.179 31.262 -14.944 80 HB3 CYS 14 HB1 CYS 14 2.910 29.698 -15.710 81 H ASP 15 H ASP 15 3.253 33.795 -17.064 82 HA ASP 15 HA ASP 15 5.953 34.412 -17.968 83 HB2 ASP 15 HB2 ASP 15 4.047 36.377 -16.695 84 HB3 ASP 15 HB1 ASP 15 5.279 36.682 -17.921 85 H ALA 16 H ALA 16 7.706 34.891 -16.708 86 HA ALA 16 HA ALA 16 7.737 34.189 -13.942 87 HB1 ALA 16 HB1 ALA 16 9.621 35.203 -15.920 88 HB2 ALA 16 HB2 ALA 16 9.921 34.175 -14.519 89 HB3 ALA 16 HB3 ALA 16 9.894 35.929 -14.335 90 H ALA 17 H ALA 17 7.039 37.189 -15.596 91 HA ALA 17 HA ALA 17 7.466 39.027 -13.471 92 HB1 ALA 17 HB1 ALA 17 5.989 38.983 -16.005 93 HB2 ALA 17 HB2 ALA 17 6.885 40.301 -15.253 94 HB3 ALA 17 HB3 ALA 17 5.216 39.986 -14.778 95 H THR 18 H THR 18 4.382 37.472 -14.435 96 HA THR 18 HA THR 18 3.450 37.875 -11.624 97 HB THR 18 HB THR 18 2.028 38.986 -13.277 98 HG1 THR 18 HG1 THR 18 0.881 36.572 -12.328 99 HG21 THR 18 3HG2 THR 18 2.276 36.331 -14.625 100 HG22 THR 18 1HG2 THR 18 2.291 37.951 -15.324 101 HG23 THR 18 2HG2 THR 18 0.766 37.221 -14.821 102 H CYS 19 H CYS 19 5.087 35.631 -12.955 103 HA CYS 19 HA CYS 19 5.062 33.274 -13.101 104 HB2 CYS 19 HB2 CYS 19 4.276 32.275 -10.859 105 HB3 CYS 19 HB1 CYS 19 5.601 33.433 -10.803 106 H LYS 20 H LYS 20 2.773 34.425 -14.415 107 HA LYS 20 HA LYS 20 0.854 32.178 -13.974 108 HB2 LYS 20 HB2 LYS 20 0.349 35.084 -13.820 109 HB3 LYS 20 HB1 LYS 20 -0.804 34.183 -14.806 110 HG2 LYS 20 HG2 LYS 20 -0.118 32.870 -12.259 111 HG3 LYS 20 HG1 LYS 20 -0.947 34.416 -12.073 112 HD2 LYS 20 HD2 LYS 20 -2.004 32.482 -14.097 113 HD3 LYS 20 HD1 LYS 20 -2.319 32.160 -12.391 114 HE2 LYS 20 HE2 LYS 20 -3.151 34.553 -12.207 115 HE3 LYS 20 HE1 LYS 20 -3.074 34.630 -13.967 116 HZ1 LYS 20 HZ1 LYS 20 -4.395 32.334 -13.583 117 HZ2 LYS 20 HZ2 LYS 20 -5.149 33.836 -13.836 118 HZ3 LYS 20 HZ3 LYS 20 -4.947 33.239 -12.258 119 H LEU 21 H LEU 21 -0.449 31.679 -15.880 120 HA LEU 21 HA LEU 21 1.089 31.753 -18.321 121 HB2 LEU 21 HB2 LEU 21 -1.847 31.111 -18.249 122 HB3 LEU 21 HB1 LEU 21 -0.567 30.362 -19.206 123 HG LEU 21 HG LEU 21 0.226 29.958 -16.555 124 HD11 LEU 21 1HD1 LEU 21 -2.622 30.330 -16.652 125 HD12 LEU 21 2HD1 LEU 21 -1.616 29.910 -15.267 126 HD13 LEU 21 3HD1 LEU 21 -2.277 28.638 -16.293 127 HD21 LEU 21 3HD2 LEU 21 -0.284 28.482 -18.888 128 HD22 LEU 21 1HD2 LEU 21 -1.265 27.715 -17.640 129 HD23 LEU 21 2HD2 LEU 21 0.475 27.887 -17.411 130 H ARG 22 H ARG 22 1.084 33.281 -19.882 131 HA ARG 22 HA ARG 22 -0.615 35.640 -19.572 132 HB2 ARG 22 HB2 ARG 22 1.813 35.697 -20.296 133 HB3 ARG 22 HB1 ARG 22 1.289 35.048 -21.846 134 HG2 ARG 22 HG2 ARG 22 -0.115 37.454 -20.745 135 HG3 ARG 22 HG1 ARG 22 1.469 37.659 -21.496 136 HD2 ARG 22 HD2 ARG 22 -0.033 35.929 -23.178 137 HD3 ARG 22 HD1 ARG 22 -1.073 37.296 -22.777 138 HE ARG 22 HE ARG 22 1.606 38.127 -23.552 139 HH11 ARG 22 1HH2 ARG 22 -0.172 36.245 -25.485 140 HH12 ARG 22 2HH2 ARG 22 -0.653 37.458 -26.623 141 HH21 ARG 22 1HH1 ARG 22 0.414 40.105 -24.653 142 HH22 ARG 22 2HH1 ARG 22 -0.321 39.644 -26.152 143 HA PRO 23 HA PRO 23 -2.334 34.062 -23.747 144 HB2 PRO 23 HB2 PRO 23 -1.838 31.438 -24.403 145 HB3 PRO 23 HB1 PRO 23 -0.810 32.790 -24.909 146 HG2 PRO 23 HG2 PRO 23 -0.310 30.736 -22.808 147 HG3 PRO 23 HG1 PRO 23 0.854 31.669 -23.764 148 HD2 PRO 23 HD2 PRO 23 0.118 32.180 -21.084 149 HD3 PRO 23 HD1 PRO 23 1.019 33.280 -22.147 150 H GLY 24 H GLY 24 -3.892 31.931 -24.363 151 HA2 GLY 24 HA2 GLY 24 -5.676 31.753 -22.048 152 HA3 GLY 24 HA1 GLY 24 -5.998 31.104 -23.656 153 H ALA 25 H ALA 25 -3.294 30.503 -21.390 154 HA ALA 25 HA ALA 25 -3.548 27.621 -21.883 155 HB1 ALA 25 HB1 ALA 25 -1.651 27.672 -20.041 156 HB2 ALA 25 HB2 ALA 25 -1.616 29.394 -20.420 157 HB3 ALA 25 HB3 ALA 25 -1.299 28.206 -21.684 158 H GLN 26 H GLN 26 -3.130 26.372 -19.558 159 HA GLN 26 HA GLN 26 -5.306 27.354 -17.756 160 HB2 GLN 26 HB2 GLN 26 -5.177 24.923 -19.233 161 HB3 GLN 26 HB1 GLN 26 -4.964 24.513 -17.531 162 HG2 GLN 26 HG2 GLN 26 -6.987 25.846 -16.978 163 HG3 GLN 26 HG1 GLN 26 -7.217 26.176 -18.695 164 HE21 GLN 26 1HE2 GLN 26 -9.368 24.971 -18.183 165 HE22 GLN 26 2HE2 GLN 26 -9.349 23.280 -18.325 166 H CYS 27 H CYS 27 -2.435 25.222 -17.906 167 HA CYS 27 HA CYS 27 -1.585 26.334 -15.295 168 HB2 CYS 27 HB2 CYS 27 -1.018 23.846 -14.662 169 HB3 CYS 27 HB1 CYS 27 -2.652 24.455 -14.404 170 H GLY 28 H GLY 28 0.622 26.556 -15.207 171 HA2 GLY 28 HA2 GLY 28 2.151 25.895 -17.614 172 HA3 GLY 28 HA1 GLY 28 2.768 26.740 -16.194 173 H GLU 29 H GLU 29 2.229 24.913 -14.177 174 HA GLU 29 HA GLU 29 3.630 22.426 -15.057 175 HB2 GLU 29 HB2 GLU 29 5.108 24.188 -13.858 176 HB3 GLU 29 HB1 GLU 29 4.208 23.746 -12.406 177 HG2 GLU 29 HG2 GLU 29 5.205 21.463 -14.000 178 HG3 GLU 29 HG1 GLU 29 6.457 22.452 -13.249 179 H GLY 30 H GLY 30 3.420 20.686 -13.300 180 HA2 GLY 30 HA2 GLY 30 1.780 20.537 -11.147 181 HA3 GLY 30 HA1 GLY 30 0.600 20.601 -12.456 182 H LEU 31 H LEU 31 1.109 18.355 -10.646 183 HA LEU 31 HA LEU 31 2.666 16.329 -11.947 184 HB2 LEU 31 HB2 LEU 31 0.610 16.407 -9.792 185 HB3 LEU 31 HB1 LEU 31 0.858 14.857 -10.592 186 HG LEU 31 HG LEU 31 2.352 15.006 -8.678 187 HD11 LEU 31 1HD1 LEU 31 4.407 15.522 -10.685 188 HD12 LEU 31 2HD1 LEU 31 3.129 14.473 -11.301 189 HD13 LEU 31 3HD1 LEU 31 4.015 14.021 -9.846 190 HD21 LEU 31 3HD2 LEU 31 2.704 17.732 -9.705 191 HD22 LEU 31 1HD2 LEU 31 4.229 16.947 -9.296 192 HD23 LEU 31 2HD2 LEU 31 2.964 17.104 -8.078 193 H CYS 32 H CYS 32 -0.432 17.674 -12.635 194 HA CYS 32 HA CYS 32 -0.786 15.628 -14.772 195 HB2 CYS 32 HB2 CYS 32 -2.740 16.397 -12.629 196 HB3 CYS 32 HB1 CYS 32 -3.340 15.968 -14.226 197 H CYS 33 H CYS 33 0.279 17.800 -15.668 198 HA CYS 33 HA CYS 33 -1.956 19.280 -16.931 199 HB2 CYS 33 HB2 CYS 33 -1.359 20.696 -15.030 200 HB3 CYS 33 HB1 CYS 33 0.345 20.630 -15.482 201 H GLU 34 H GLU 34 -1.568 19.064 -19.075 202 HA GLU 34 HA GLU 34 1.259 19.325 -20.010 203 HB2 GLU 34 HB2 GLU 34 -0.439 17.029 -20.202 204 HB3 GLU 34 HB1 GLU 34 -0.188 17.672 -21.825 205 HG2 GLU 34 HG2 GLU 34 2.186 17.552 -21.608 206 HG3 GLU 34 HG1 GLU 34 2.079 17.245 -19.873 207 H GLN 35 H GLN 35 1.468 20.235 -22.149 208 HA GLN 35 HA GLN 35 0.878 21.745 -23.842 209 HB2 GLN 35 HB2 GLN 35 -1.466 19.979 -23.496 210 HB3 GLN 35 HB1 GLN 35 -1.825 21.538 -24.240 211 HG2 GLN 35 HG2 GLN 35 -0.402 21.147 -26.059 212 HG3 GLN 35 HG1 GLN 35 0.528 19.925 -25.192 213 HE21 GLN 35 1HE2 GLN 35 -2.133 20.406 -27.338 214 HE22 GLN 35 2HE2 GLN 35 -2.705 18.807 -27.338 215 H CYS 36 H CYS 36 0.886 22.629 -21.090 216 HA CYS 36 HA CYS 36 0.253 24.517 -19.852 217 HB2 CYS 36 HB2 CYS 36 -0.693 25.229 -22.625 218 HB3 CYS 36 HB1 CYS 36 -1.012 26.298 -21.257 219 H LYS 37 H LYS 37 -1.630 22.114 -20.437 220 HA LYS 37 HA LYS 37 -3.967 23.346 -19.087 221 HB2 LYS 37 HB2 LYS 37 -4.107 21.720 -21.642 222 HB3 LYS 37 HB1 LYS 37 -5.506 22.070 -20.626 223 HG2 LYS 37 HG2 LYS 37 -4.339 24.560 -20.932 224 HG3 LYS 37 HG1 LYS 37 -4.088 23.815 -22.512 225 HD2 LYS 37 HD2 LYS 37 -6.534 23.186 -22.508 226 HD3 LYS 37 HD1 LYS 37 -6.720 24.165 -21.053 227 HE2 LYS 37 HE2 LYS 37 -7.295 25.628 -22.831 228 HE3 LYS 37 HE1 LYS 37 -5.643 26.074 -22.405 229 HZ1 LYS 37 HZ1 LYS 37 -6.661 24.903 -24.826 230 HZ2 LYS 37 HZ2 LYS 37 -5.286 24.108 -24.222 231 HZ3 LYS 37 HZ3 LYS 37 -5.229 25.772 -24.560 232 H PHE 38 H PHE 38 -5.521 21.468 -18.398 233 HA PHE 38 HA PHE 38 -3.937 19.569 -16.891 234 HB2 PHE 38 HB2 PHE 38 -6.899 19.269 -17.349 235 HB3 PHE 38 HB1 PHE 38 -5.960 18.893 -15.905 236 HD1 PHE 38 HD2 PHE 38 -4.337 21.319 -15.553 237 HD2 PHE 38 HD1 PHE 38 -8.460 20.899 -16.677 238 HE1 PHE 38 HE2 PHE 38 -4.815 23.577 -14.644 239 HE2 PHE 38 HE1 PHE 38 -8.939 23.156 -15.767 240 HZ PHE 38 HZ PHE 38 -7.117 24.495 -14.750 241 H SER 39 H SER 39 -3.677 17.353 -17.247 242 HA SER 39 HA SER 39 -3.783 16.451 -19.988 243 HB2 SER 39 HB2 SER 39 -3.367 14.870 -17.424 244 HB3 SER 39 HB1 SER 39 -3.040 14.282 -19.054 245 HG SER 39 HG SER 39 -1.442 15.789 -19.264 246 H ARG 40 H ARG 40 -4.856 13.728 -18.521 247 HA ARG 40 HA ARG 40 -7.708 14.368 -19.154 248 HB2 ARG 40 HB2 ARG 40 -7.975 12.033 -19.809 249 HB3 ARG 40 HB1 ARG 40 -6.623 12.733 -20.700 250 HG2 ARG 40 HG2 ARG 40 -5.080 11.809 -18.936 251 HG3 ARG 40 HG1 ARG 40 -6.467 10.963 -18.248 252 HD2 ARG 40 HD2 ARG 40 -5.239 10.586 -20.986 253 HD3 ARG 40 HD1 ARG 40 -5.407 9.390 -19.701 254 HE ARG 40 HE ARG 40 -8.017 10.103 -20.239 255 HH11 ARG 40 1HH1 ARG 40 -7.108 10.778 -23.007 256 HH12 ARG 40 2HH1 ARG 40 -7.279 9.263 -23.829 257 HH21 ARG 40 1HH2 ARG 40 -7.468 7.400 -20.911 258 HH22 ARG 40 2HH2 ARG 40 -7.481 7.350 -22.642 259 H ALA 41 H ALA 41 -9.298 13.506 -17.725 260 HA ALA 41 HA ALA 41 -8.557 13.378 -14.965 261 HB1 ALA 41 HB1 ALA 41 -10.789 14.121 -15.700 262 HB2 ALA 41 HB2 ALA 41 -10.919 12.763 -14.582 263 HB3 ALA 41 HB3 ALA 41 -11.128 12.502 -16.313 264 H GLY 42 H GLY 42 -9.086 11.485 -13.533 265 HA2 GLY 42 HA2 GLY 42 -8.869 9.217 -12.954 266 HA3 GLY 42 HA1 GLY 42 -9.207 8.815 -14.636 267 H LYS 43 H LYS 43 -6.694 11.077 -14.327 268 HA LYS 43 HA LYS 43 -4.751 8.933 -14.986 269 HB2 LYS 43 HB2 LYS 43 -3.733 10.457 -16.318 270 HB3 LYS 43 HB1 LYS 43 -5.175 11.422 -16.096 271 HG2 LYS 43 HG2 LYS 43 -3.787 12.184 -13.910 272 HG3 LYS 43 HG1 LYS 43 -2.456 11.794 -14.982 273 HD2 LYS 43 HD2 LYS 43 -2.805 13.968 -15.655 274 HD3 LYS 43 HD1 LYS 43 -3.969 13.175 -16.715 275 HE2 LYS 43 HE2 LYS 43 -5.672 13.520 -14.809 276 HE3 LYS 43 HE1 LYS 43 -4.497 14.627 -14.129 277 HZ1 LYS 43 HZ1 LYS 43 -4.511 15.749 -16.365 278 HZ2 LYS 43 HZ2 LYS 43 -5.897 15.942 -15.409 279 HZ3 LYS 43 HZ3 LYS 43 -5.904 14.848 -16.703 280 H ILE 44 H ILE 44 -3.507 8.131 -13.382 281 HA ILE 44 HA ILE 44 -3.669 9.243 -10.757 282 HB ILE 44 HB ILE 44 -2.280 7.489 -10.018 283 HG12 ILE 44 2HG1 ILE 44 -1.497 6.330 -12.552 284 HG13 ILE 44 1HG1 ILE 44 -0.872 7.975 -12.387 285 HG21 ILE 44 1HG2 ILE 44 -4.237 6.910 -12.174 286 HG22 ILE 44 2HG2 ILE 44 -4.228 6.395 -10.487 287 HG23 ILE 44 3HG2 ILE 44 -3.201 5.577 -11.664 288 HD11 ILE 44 3HD1 ILE 44 -0.664 6.578 -9.876 289 HD12 ILE 44 1HD1 ILE 44 0.613 7.316 -10.841 290 HD13 ILE 44 2HD1 ILE 44 0.124 5.650 -11.151 291 H CYS 45 H CYS 45 -2.144 10.153 -9.461 292 HA CYS 45 HA CYS 45 0.111 11.510 -10.880 293 HB2 CYS 45 HB2 CYS 45 -0.464 13.288 -8.982 294 HB3 CYS 45 HB1 CYS 45 -1.279 13.313 -10.539 295 H ARG 46 H ARG 46 -0.677 9.332 -8.483 296 HA ARG 46 HA ARG 46 1.992 9.492 -7.308 297 HB2 ARG 46 HB2 ARG 46 -0.192 10.875 -6.041 298 HB3 ARG 46 HB1 ARG 46 0.305 9.519 -5.027 299 HG2 ARG 46 HG2 ARG 46 2.498 10.322 -4.808 300 HG3 ARG 46 HG1 ARG 46 2.368 11.344 -6.240 301 HD2 ARG 46 HD2 ARG 46 0.553 12.628 -4.939 302 HD3 ARG 46 HD1 ARG 46 1.153 11.786 -3.512 303 HE ARG 46 HE ARG 46 3.273 12.955 -3.773 304 HH11 ARG 46 1HH1 ARG 46 3.361 13.329 -6.706 305 HH12 ARG 46 2HH1 ARG 46 2.983 15.009 -6.891 306 HH21 ARG 46 1HH2 ARG 46 1.672 15.336 -3.697 307 HH22 ARG 46 2HH2 ARG 46 2.026 16.146 -5.187 308 H ILE 47 H ILE 47 2.021 7.892 -5.350 309 HA ILE 47 HA ILE 47 0.217 5.598 -5.858 310 HB ILE 47 HB ILE 47 3.079 5.787 -6.517 311 HG12 ILE 47 2HG1 ILE 47 1.207 5.199 -8.075 312 HG13 ILE 47 1HG1 ILE 47 2.482 3.981 -8.030 313 HG21 ILE 47 1HG2 ILE 47 2.070 3.682 -4.649 314 HG22 ILE 47 2HG2 ILE 47 3.648 4.467 -4.706 315 HG23 ILE 47 3HG2 ILE 47 3.235 3.230 -5.893 316 HD11 ILE 47 3HD1 ILE 47 0.313 2.871 -7.909 317 HD12 ILE 47 1HD1 ILE 47 -0.154 3.878 -6.539 318 HD13 ILE 47 2HD1 ILE 47 1.142 2.696 -6.363 319 HA PRO 48 HA PRO 48 0.616 6.102 -1.395 320 HB2 PRO 48 HB2 PRO 48 -1.739 4.816 -0.824 321 HB3 PRO 48 HB1 PRO 48 -1.665 6.502 -1.363 322 HG2 PRO 48 HG2 PRO 48 -2.515 4.081 -2.888 323 HG3 PRO 48 HG1 PRO 48 -2.986 5.773 -3.119 324 HD2 PRO 48 HD2 PRO 48 -1.074 4.332 -4.653 325 HD3 PRO 48 HD1 PRO 48 -1.358 6.087 -4.701 326 H ARG 49 H ARG 49 -1.290 3.196 -1.571 327 HA ARG 49 HA ARG 49 1.111 1.533 -0.961 328 HB2 ARG 49 HB2 ARG 49 -0.550 2.131 0.996 329 HB3 ARG 49 HB1 ARG 49 -1.595 0.940 0.221 330 HG2 ARG 49 HG2 ARG 49 1.256 0.452 1.135 331 HG3 ARG 49 HG1 ARG 49 -0.196 -0.114 1.961 332 HD2 ARG 49 HD2 ARG 49 -0.778 -1.192 -0.354 333 HD3 ARG 49 HD1 ARG 49 0.946 -1.004 -0.675 334 HE ARG 49 HE ARG 49 1.252 -2.336 1.516 335 HH11 ARG 49 1HH2 ARG 49 -1.842 -2.488 1.740 336 HH12 ARG 49 2HH2 ARG 49 -2.104 -4.121 1.227 337 HH21 ARG 49 1HH1 ARG 49 1.067 -4.484 -0.131 338 HH22 ARG 49 2HH1 ARG 49 -0.456 -5.252 0.169 339 H LEU 50 H LEU 50 1.291 0.412 -2.863 340 HA LEU 50 HA LEU 50 -0.484 -0.094 -4.836 341 HB2 LEU 50 HB2 LEU 50 1.960 -1.195 -4.108 342 HB3 LEU 50 HB1 LEU 50 0.895 -2.589 -4.148 343 HG LEU 50 HG LEU 50 0.968 -2.636 -6.402 344 HD11 LEU 50 1HD1 LEU 50 0.401 0.345 -6.447 345 HD12 LEU 50 2HD1 LEU 50 -0.817 -0.927 -6.515 346 HD13 LEU 50 3HD1 LEU 50 0.333 -0.740 -7.835 347 HD21 LEU 50 3HD2 LEU 50 3.117 -0.907 -5.570 348 HD22 LEU 50 1HD2 LEU 50 2.564 -0.460 -7.184 349 HD23 LEU 50 2HD2 LEU 50 3.093 -2.111 -6.859 350 H ASP 51 H ASP 51 -2.020 -1.701 -5.369 351 HA ASP 51 HA ASP 51 -3.576 -3.442 -4.925 352 HB2 ASP 51 HB2 ASP 51 -1.983 -4.126 -2.989 353 HB3 ASP 51 HB1 ASP 51 -3.048 -3.156 -1.971 354 H MET 52 H MET 52 -3.250 -0.360 -3.519 355 HA MET 52 HA MET 52 -6.159 -0.203 -2.885 356 HB2 MET 52 HB2 MET 52 -3.756 0.940 -1.730 357 HB3 MET 52 HB1 MET 52 -4.875 2.217 -2.202 358 HG2 MET 52 HG2 MET 52 -6.599 0.444 -1.057 359 HG3 MET 52 HG1 MET 52 -5.148 0.142 -0.105 360 HE1 MET 52 HE1 MET 52 -7.431 1.927 2.039 361 HE2 MET 52 HE2 MET 52 -5.742 1.847 2.534 362 HE3 MET 52 HE3 MET 52 -6.450 0.513 1.629 363 HA PRO 53 HA PRO 53 -6.885 2.473 -6.293 364 HB2 PRO 53 HB2 PRO 53 -8.199 4.633 -5.221 365 HB3 PRO 53 HB1 PRO 53 -8.942 3.035 -5.417 366 HG2 PRO 53 HG2 PRO 53 -7.886 4.335 -2.945 367 HG3 PRO 53 HG1 PRO 53 -9.227 3.188 -3.116 368 HD2 PRO 53 HD2 PRO 53 -6.667 2.536 -2.202 369 HD3 PRO 53 HD1 PRO 53 -7.837 1.369 -2.854 370 H ASP 54 H ASP 54 -4.657 3.022 -6.720 371 HA ASP 54 HA ASP 54 -2.945 4.864 -5.628 372 HB2 ASP 54 HB2 ASP 54 -3.599 4.667 -8.585 373 HB3 ASP 54 HB1 ASP 54 -2.120 5.338 -7.899 374 H ASP 55 H ASP 55 -2.541 7.188 -6.142 375 HA ASP 55 HA ASP 55 -4.897 8.799 -5.788 376 HB2 ASP 55 HB2 ASP 55 -2.051 9.444 -6.582 377 HB3 ASP 55 HB1 ASP 55 -3.282 10.695 -6.428 378 H ARG 56 H ARG 56 -6.102 9.950 -7.370 379 HA ARG 56 HA ARG 56 -5.229 9.507 -10.175 380 HB2 ARG 56 HB2 ARG 56 -7.917 8.902 -8.966 381 HB3 ARG 56 HB1 ARG 56 -7.714 9.151 -10.701 382 HG2 ARG 56 HG2 ARG 56 -5.705 7.339 -9.587 383 HG3 ARG 56 HG1 ARG 56 -7.351 6.746 -9.363 384 HD2 ARG 56 HD2 ARG 56 -6.751 7.878 -12.035 385 HD3 ARG 56 HD1 ARG 56 -5.933 6.370 -11.647 386 HE ARG 56 HE ARG 56 -8.108 5.300 -11.404 387 HH11 ARG 56 1HH1 ARG 56 -9.714 7.687 -10.574 388 HH12 ARG 56 2HH1 ARG 56 -10.635 8.021 -12.002 389 HH21 ARG 56 1HH2 ARG 56 -8.622 6.097 -14.069 390 HH22 ARG 56 2HH2 ARG 56 -10.018 7.121 -13.981 391 H CYS 57 H CYS 57 -5.204 11.284 -11.348 392 HA CYS 57 HA CYS 57 -6.076 13.827 -10.286 393 HB2 CYS 57 HB2 CYS 57 -5.242 13.012 -13.082 394 HB3 CYS 57 HB1 CYS 57 -5.496 14.671 -12.568 395 H THR 58 H THR 58 -7.967 14.902 -10.613 396 HA THR 58 HA THR 58 -10.243 13.483 -11.703 397 HB THR 58 HB THR 58 -11.532 15.294 -10.926 398 HG1 THR 58 HG1 THR 58 -10.170 17.308 -10.424 399 HG21 THR 58 3HG2 THR 58 -9.166 15.753 -9.151 400 HG22 THR 58 1HG2 THR 58 -9.857 14.132 -9.229 401 HG23 THR 58 2HG2 THR 58 -10.857 15.493 -8.719 402 H GLY 59 H GLY 59 -7.760 15.031 -13.245 403 HA2 GLY 59 HA2 GLY 59 -7.646 15.351 -15.621 404 HA3 GLY 59 HA1 GLY 59 -9.409 15.373 -15.676 405 H GLN 60 H GLN 60 -9.350 17.273 -13.297 406 HA GLN 60 HA GLN 60 -8.810 19.731 -14.901 407 HB2 GLN 60 HB2 GLN 60 -10.467 19.656 -12.387 408 HB3 GLN 60 HB1 GLN 60 -10.542 20.804 -13.723 409 HG2 GLN 60 HG2 GLN 60 -11.675 19.297 -15.123 410 HG3 GLN 60 HG1 GLN 60 -11.168 17.893 -14.184 411 HE21 GLN 60 1HE2 GLN 60 -12.990 20.958 -13.566 412 HE22 GLN 60 2HE2 GLN 60 -14.194 20.217 -12.627 413 H SER 61 H SER 61 -8.034 18.033 -11.942 414 HA SER 61 HA SER 61 -6.771 20.338 -10.673 415 HB2 SER 61 HB2 SER 61 -5.677 18.169 -9.422 416 HB3 SER 61 HB1 SER 61 -7.225 18.885 -8.983 417 HG SER 61 HG SER 61 -6.644 16.532 -10.333 418 H ALA 62 H ALA 62 -5.101 21.184 -11.904 419 HA ALA 62 HA ALA 62 -3.306 19.770 -13.554 420 HB1 ALA 62 HB1 ALA 62 -1.994 21.961 -12.138 421 HB2 ALA 62 HB2 ALA 62 -3.597 22.418 -12.714 422 HB3 ALA 62 HB3 ALA 62 -2.390 21.816 -13.851 423 H ASP 63 H ASP 63 -2.885 20.693 -10.120 424 HA ASP 63 HA ASP 63 -0.520 18.924 -9.942 425 HB2 ASP 63 HB2 ASP 63 -1.733 20.327 -7.581 426 HB3 ASP 63 HB1 ASP 63 -0.037 19.994 -7.927 427 H CYS 64 H CYS 64 -0.581 17.644 -7.656 428 HA CYS 64 HA CYS 64 -3.219 16.244 -7.553 429 HB2 CYS 64 HB2 CYS 64 -1.365 14.939 -8.691 430 HB3 CYS 64 HB1 CYS 64 -0.534 14.907 -7.138 431 HA PRO 65 HA PRO 65 -2.962 17.319 -3.309 432 HB2 PRO 65 HB2 PRO 65 -5.304 16.077 -2.633 433 HB3 PRO 65 HB1 PRO 65 -5.240 17.655 -3.416 434 HG2 PRO 65 HG2 PRO 65 -6.006 15.009 -4.537 435 HG3 PRO 65 HG1 PRO 65 -6.463 16.632 -5.081 436 HD2 PRO 65 HD2 PRO 65 -4.501 14.966 -6.261 437 HD3 PRO 65 HD1 PRO 65 -4.762 16.689 -6.603 438 H ARG 66 H ARG 66 -4.023 15.635 -1.313 439 HA ARG 66 HA ARG 66 -2.516 13.079 -1.641 440 HB2 ARG 66 HB2 ARG 66 -1.960 13.475 0.901 441 HB3 ARG 66 HB1 ARG 66 -0.977 14.257 -0.338 442 HG2 ARG 66 HG2 ARG 66 -1.736 16.336 0.191 443 HG3 ARG 66 HG1 ARG 66 -3.386 15.770 0.456 444 HD2 ARG 66 HD2 ARG 66 -1.178 15.103 2.400 445 HD3 ARG 66 HD1 ARG 66 -2.069 16.620 2.515 446 HE ARG 66 HE ARG 66 -3.495 13.993 2.563 447 HH11 ARG 66 1HH2 ARG 66 -2.240 15.508 5.038 448 HH12 ARG 66 2HH2 ARG 66 -3.689 16.176 5.715 449 HH21 ARG 66 1HH1 ARG 66 -5.609 15.549 2.897 450 HH22 ARG 66 2HH1 ARG 66 -5.596 16.198 4.503 451 H TYR 67 H TYR 67 -3.795 11.374 -1.116 452 HA TYR 67 HA TYR 67 -6.278 11.919 0.437 453 HB2 TYR 67 HB2 TYR 67 -5.961 10.591 -1.926 454 HB3 TYR 67 HB1 TYR 67 -5.884 9.251 -0.781 455 HD1 TYR 67 HD1 TYR 67 -7.733 9.133 1.033 456 HD2 TYR 67 HD2 TYR 67 -8.036 11.517 -2.527 457 HE1 TYR 67 HE1 TYR 67 -10.196 9.223 1.303 458 HE2 TYR 67 HE2 TYR 67 -10.499 11.607 -2.257 459 HH TYR 67 HH TYR 67 -12.207 9.571 -0.293 460 H HIS 68 H HIS 68 -5.126 11.927 2.501 461 HA HIS 68 HA HIS 68 -3.766 9.451 3.326 462 HB2 HIS 68 HB2 HIS 68 -4.359 12.084 4.684 463 HB3 HIS 68 HB1 HIS 68 -3.693 10.713 5.572 464 HD1 HIS 68 HD1 HIS 68 -2.866 12.068 2.097 465 HD2 HIS 68 HD2 HIS 68 -0.979 11.192 5.710 466 HE1 HIS 68 HE1 HIS 68 -0.395 12.488 1.735 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -0.934 30.112 -0.924 2 H2 GLY 1 HT2 GLY 1 -1.252 31.243 0.305 3 H3 GLY 1 HT3 GLY 1 -0.657 31.763 -1.199 4 HA2 GLY 1 HA1 GLY 1 -2.786 30.659 -2.133 5 HA3 GLY 1 HA2 GLY 1 -3.360 30.861 -0.477 6 H LYS 2 H LYS 2 -2.048 33.270 0.178 7 HA LYS 2 HA LYS 2 -3.604 35.158 -1.512 8 HB2 LYS 2 HB2 LYS 2 -2.491 35.239 1.278 9 HB3 LYS 2 HB1 LYS 2 -2.834 36.751 0.439 10 HG2 LYS 2 HG2 LYS 2 -4.986 34.763 0.202 11 HG3 LYS 2 HG1 LYS 2 -4.685 35.288 1.859 12 HD2 LYS 2 HD2 LYS 2 -4.884 37.314 -0.359 13 HD3 LYS 2 HD1 LYS 2 -6.345 36.669 0.391 14 HE2 LYS 2 HE2 LYS 2 -4.542 37.315 2.493 15 HE3 LYS 2 HE1 LYS 2 -4.577 38.693 1.393 16 HZ1 LYS 2 HZ1 LYS 2 -6.534 39.239 2.229 17 HZ2 LYS 2 HZ2 LYS 2 -6.534 37.871 3.234 18 HZ3 LYS 2 HZ3 LYS 2 -7.190 37.778 1.670 19 H GLU 3 H GLU 3 -0.370 35.043 0.043 20 HA GLU 3 HA GLU 3 0.627 36.711 -2.234 21 HB2 GLU 3 HB2 GLU 3 0.824 37.150 0.541 22 HB3 GLU 3 HB1 GLU 3 2.426 36.618 0.032 23 HG2 GLU 3 HG2 GLU 3 2.813 38.657 -0.830 24 HG3 GLU 3 HG1 GLU 3 1.471 38.422 -1.950 25 H CYS 4 H CYS 4 1.034 33.741 -0.463 26 HA CYS 4 HA CYS 4 3.436 33.179 -2.146 27 HB2 CYS 4 HB2 CYS 4 2.631 31.780 0.417 28 HB3 CYS 4 HB1 CYS 4 4.132 31.558 -0.478 29 H ASP 5 H ASP 5 2.919 31.921 -3.878 30 HA ASP 5 HA ASP 5 0.673 29.982 -3.570 31 HB2 ASP 5 HB2 ASP 5 1.080 31.865 -5.518 32 HB3 ASP 5 HB1 ASP 5 1.793 30.431 -6.262 33 H CYS 6 H CYS 6 3.967 30.045 -3.363 34 HA CYS 6 HA CYS 6 4.130 27.192 -4.217 35 HB2 CYS 6 HB2 CYS 6 6.245 27.519 -5.274 36 HB3 CYS 6 HB1 CYS 6 5.210 28.808 -5.885 37 H SER 7 H SER 7 6.021 26.076 -3.143 38 HA SER 7 HA SER 7 6.529 27.290 -0.454 39 HB2 SER 7 HB2 SER 7 5.085 25.098 -0.735 40 HB3 SER 7 HB1 SER 7 6.657 24.328 -0.934 41 HG SER 7 HG SER 7 5.455 25.294 1.302 42 H SER 8 H SER 8 8.050 27.142 -3.185 43 HA SER 8 HA SER 8 10.603 26.093 -2.033 44 HB2 SER 8 HB2 SER 8 9.480 26.032 -4.815 45 HB3 SER 8 HB1 SER 8 11.227 26.057 -4.592 46 HG SER 8 HG SER 8 10.479 23.928 -4.629 47 HA PRO 9 HA PRO 9 11.786 30.376 -2.397 48 HB2 PRO 9 HB2 PRO 9 14.320 30.036 -1.390 49 HB3 PRO 9 HB1 PRO 9 12.868 30.118 -0.377 50 HG2 PRO 9 HG2 PRO 9 14.520 27.744 -1.099 51 HG3 PRO 9 HG1 PRO 9 13.496 28.009 0.322 52 HD2 PRO 9 HD2 PRO 9 12.823 26.455 -1.952 53 HD3 PRO 9 HD1 PRO 9 11.707 26.978 -0.673 54 H GLU 10 H GLU 10 12.918 27.751 -4.173 55 HA GLU 10 HA GLU 10 14.734 29.512 -5.773 56 HB2 GLU 10 HB2 GLU 10 15.252 26.987 -4.611 57 HB3 GLU 10 HB1 GLU 10 15.087 26.704 -6.345 58 HG2 GLU 10 HG2 GLU 10 16.726 29.027 -5.378 59 HG3 GLU 10 HG1 GLU 10 17.424 27.406 -5.371 60 H ASN 11 H ASN 11 11.781 29.167 -6.005 61 HA ASN 11 HA ASN 11 11.563 27.714 -8.588 62 HB2 ASN 11 HB2 ASN 11 9.903 27.589 -6.514 63 HB3 ASN 11 HB1 ASN 11 9.223 29.031 -7.265 64 HD21 ASN 11 1HD2 ASN 11 9.051 25.658 -7.292 65 HD22 ASN 11 2HD2 ASN 11 8.330 25.450 -8.814 66 HA PRO 12 HA PRO 12 11.704 31.648 -10.645 67 HB2 PRO 12 HB2 PRO 12 11.122 30.684 -13.155 68 HB3 PRO 12 HB1 PRO 12 12.720 30.554 -12.402 69 HG2 PRO 12 HG2 PRO 12 10.656 28.439 -12.800 70 HG3 PRO 12 HG1 PRO 12 12.414 28.279 -12.662 71 HD2 PRO 12 HD2 PRO 12 10.542 27.733 -10.615 72 HD3 PRO 12 HD1 PRO 12 12.296 27.915 -10.402 73 H CYS 13 H CYS 13 9.017 29.383 -11.329 74 HA CYS 13 HA CYS 13 7.165 31.161 -12.457 75 HB2 CYS 13 HB2 CYS 13 6.451 29.061 -10.392 76 HB3 CYS 13 HB1 CYS 13 5.436 29.663 -11.702 77 H CYS 14 H CYS 14 7.242 30.297 -8.978 78 HA CYS 14 HA CYS 14 5.739 32.718 -8.341 79 HB2 CYS 14 HB2 CYS 14 5.654 31.909 -6.102 80 HB3 CYS 14 HB1 CYS 14 5.478 30.494 -7.136 81 H ASP 15 H ASP 15 6.618 34.641 -7.886 82 HA ASP 15 HA ASP 15 9.442 35.100 -7.960 83 HB2 ASP 15 HB2 ASP 15 7.016 36.705 -7.236 84 HB3 ASP 15 HB1 ASP 15 8.603 37.331 -6.776 85 H ALA 16 H ALA 16 10.936 34.968 -6.317 86 HA ALA 16 HA ALA 16 10.237 33.785 -3.801 87 HB1 ALA 16 HB1 ALA 16 12.486 33.523 -4.627 88 HB2 ALA 16 HB2 ALA 16 12.586 34.474 -3.145 89 HB3 ALA 16 HB3 ALA 16 12.716 35.270 -4.714 90 H ALA 17 H ALA 17 10.805 37.142 -4.802 91 HA ALA 17 HA ALA 17 10.752 38.333 -2.217 92 HB1 ALA 17 HB1 ALA 17 9.488 40.121 -4.005 93 HB2 ALA 17 HB2 ALA 17 10.659 39.217 -4.966 94 HB3 ALA 17 HB3 ALA 17 11.189 40.105 -3.538 95 H THR 18 H THR 18 8.126 37.449 -4.441 96 HA THR 18 HA THR 18 6.189 38.187 -2.285 97 HB THR 18 HB THR 18 4.499 38.170 -4.174 98 HG1 THR 18 HG1 THR 18 6.052 36.913 -5.510 99 HG21 THR 18 3HG2 THR 18 4.909 40.370 -3.878 100 HG22 THR 18 1HG2 THR 18 5.985 40.248 -5.271 101 HG23 THR 18 2HG2 THR 18 6.634 40.090 -3.639 102 H CYS 19 H CYS 19 7.825 35.625 -3.013 103 HA CYS 19 HA CYS 19 7.449 33.310 -3.198 104 HB2 CYS 19 HB2 CYS 19 5.836 32.523 -1.386 105 HB3 CYS 19 HB1 CYS 19 7.180 33.524 -0.851 106 H LYS 20 H LYS 20 5.601 34.986 -5.040 107 HA LYS 20 HA LYS 20 3.776 32.695 -5.533 108 HB2 LYS 20 HB2 LYS 20 1.866 34.247 -5.978 109 HB3 LYS 20 HB1 LYS 20 2.361 34.195 -4.293 110 HG2 LYS 20 HG2 LYS 20 2.122 36.496 -4.707 111 HG3 LYS 20 HG1 LYS 20 3.855 36.233 -4.898 112 HD2 LYS 20 HD2 LYS 20 3.747 36.330 -7.241 113 HD3 LYS 20 HD1 LYS 20 2.015 35.998 -7.267 114 HE2 LYS 20 HE2 LYS 20 2.400 38.358 -5.724 115 HE3 LYS 20 HE1 LYS 20 3.339 38.541 -7.205 116 HZ1 LYS 20 HZ1 LYS 20 0.471 38.384 -6.839 117 HZ2 LYS 20 HZ2 LYS 20 1.079 37.491 -8.151 118 HZ3 LYS 20 HZ3 LYS 20 1.371 39.162 -8.048 119 H LEU 21 H LEU 21 2.776 32.783 -7.710 120 HA LEU 21 HA LEU 21 4.747 33.260 -9.718 121 HB2 LEU 21 HB2 LEU 21 1.833 33.104 -10.403 122 HB3 LEU 21 HB1 LEU 21 3.214 32.403 -11.239 123 HG LEU 21 HG LEU 21 3.225 31.288 -8.639 124 HD11 LEU 21 1HD1 LEU 21 0.517 31.853 -9.656 125 HD12 LEU 21 2HD1 LEU 21 1.039 31.429 -8.026 126 HD13 LEU 21 3HD1 LEU 21 0.788 30.164 -9.230 127 HD21 LEU 21 3HD2 LEU 21 3.461 29.375 -9.847 128 HD22 LEU 21 1HD2 LEU 21 3.578 30.476 -11.219 129 HD23 LEU 21 2HD2 LEU 21 2.037 29.709 -10.834 130 H ARG 22 H ARG 22 5.343 35.093 -10.673 131 HA ARG 22 HA ARG 22 3.785 37.544 -10.223 132 HB2 ARG 22 HB2 ARG 22 6.439 37.130 -10.354 133 HB3 ARG 22 HB1 ARG 22 6.141 37.564 -12.038 134 HG2 ARG 22 HG2 ARG 22 4.806 39.273 -10.014 135 HG3 ARG 22 HG1 ARG 22 6.563 39.402 -10.090 136 HD2 ARG 22 HD2 ARG 22 5.849 39.394 -12.759 137 HD3 ARG 22 HD1 ARG 22 4.543 40.315 -12.014 138 HE ARG 22 HE ARG 22 7.137 41.190 -11.066 139 HH11 ARG 22 1HH2 ARG 22 5.709 41.010 -14.129 140 HH12 ARG 22 2HH2 ARG 22 5.870 42.698 -14.482 141 HH21 ARG 22 1HH1 ARG 22 6.987 43.526 -11.307 142 HH22 ARG 22 2HH1 ARG 22 6.591 44.122 -12.884 143 HA PRO 23 HA PRO 23 3.460 37.292 -14.979 144 HB2 PRO 23 HB2 PRO 23 4.257 34.961 -16.195 145 HB3 PRO 23 HB1 PRO 23 5.335 36.339 -15.912 146 HG2 PRO 23 HG2 PRO 23 5.233 33.722 -14.498 147 HG3 PRO 23 HG1 PRO 23 6.587 34.850 -14.673 148 HD2 PRO 23 HD2 PRO 23 4.942 34.536 -12.378 149 HD3 PRO 23 HD1 PRO 23 6.127 35.830 -12.657 150 H GLY 24 H GLY 24 2.069 35.884 -16.614 151 HA2 GLY 24 HA2 GLY 24 -0.293 35.038 -15.218 152 HA3 GLY 24 HA1 GLY 24 -0.007 34.846 -16.946 153 H ALA 25 H ALA 25 1.186 33.463 -13.859 154 HA ALA 25 HA ALA 25 1.402 30.834 -15.248 155 HB1 ALA 25 HB1 ALA 25 2.482 30.442 -12.762 156 HB2 ALA 25 HB2 ALA 25 2.839 32.148 -13.027 157 HB3 ALA 25 HB3 ALA 25 3.410 30.940 -14.175 158 H GLN 26 H GLN 26 0.796 28.925 -13.754 159 HA GLN 26 HA GLN 26 -1.806 29.591 -12.445 160 HB2 GLN 26 HB2 GLN 26 -0.884 27.422 -14.182 161 HB3 GLN 26 HB1 GLN 26 -1.684 26.827 -12.726 162 HG2 GLN 26 HG2 GLN 26 -3.409 27.141 -14.359 163 HG3 GLN 26 HG1 GLN 26 -3.553 28.478 -13.221 164 HE21 GLN 26 1HE2 GLN 26 -3.197 27.713 -16.538 165 HE22 GLN 26 2HE2 GLN 26 -2.815 29.269 -17.096 166 H CYS 27 H CYS 27 0.979 27.379 -12.106 167 HA CYS 27 HA CYS 27 0.853 27.765 -9.174 168 HB2 CYS 27 HB2 CYS 27 -0.491 25.827 -9.314 169 HB3 CYS 27 HB1 CYS 27 0.469 25.145 -10.623 170 H GLY 28 H GLY 28 2.887 27.621 -8.233 171 HA2 GLY 28 HA2 GLY 28 5.157 27.337 -10.121 172 HA3 GLY 28 HA1 GLY 28 5.247 28.030 -8.502 173 H GLU 29 H GLU 29 3.859 25.932 -7.137 174 HA GLU 29 HA GLU 29 5.601 23.560 -7.621 175 HB2 GLU 29 HB2 GLU 29 6.467 25.099 -5.756 176 HB3 GLU 29 HB1 GLU 29 5.036 24.615 -4.846 177 HG2 GLU 29 HG2 GLU 29 6.183 22.244 -5.919 178 HG3 GLU 29 HG1 GLU 29 7.497 23.175 -5.197 179 H GLY 30 H GLY 30 4.575 21.598 -7.212 180 HA2 GLY 30 HA2 GLY 30 2.459 20.968 -5.568 181 HA3 GLY 30 HA1 GLY 30 1.665 21.680 -6.975 182 H LEU 31 H LEU 31 1.278 18.972 -6.294 183 HA LEU 31 HA LEU 31 3.016 17.128 -7.552 184 HB2 LEU 31 HB2 LEU 31 0.187 17.138 -6.688 185 HB3 LEU 31 HB1 LEU 31 0.578 15.974 -7.953 186 HG LEU 31 HG LEU 31 0.869 15.140 -5.559 187 HD11 LEU 31 1HD1 LEU 31 3.527 15.052 -6.925 188 HD12 LEU 31 2HD1 LEU 31 2.129 14.428 -7.799 189 HD13 LEU 31 3HD1 LEU 31 2.576 13.734 -6.241 190 HD21 LEU 31 3HD2 LEU 31 1.920 17.372 -4.844 191 HD22 LEU 31 1HD2 LEU 31 3.386 16.819 -5.653 192 HD23 LEU 31 2HD2 LEU 31 2.740 15.913 -4.285 193 H CYS 32 H CYS 32 0.588 19.273 -8.931 194 HA CYS 32 HA CYS 32 1.340 18.194 -11.618 195 HB2 CYS 32 HB2 CYS 32 -1.278 19.519 -10.873 196 HB3 CYS 32 HB1 CYS 32 -0.869 18.803 -12.428 197 H CYS 33 H CYS 33 2.999 20.122 -10.671 198 HA CYS 33 HA CYS 33 2.042 22.579 -12.088 199 HB2 CYS 33 HB2 CYS 33 3.894 22.450 -9.692 200 HB3 CYS 33 HB1 CYS 33 3.358 23.919 -10.506 201 H GLU 34 H GLU 34 3.071 22.132 -14.051 202 HA GLU 34 HA GLU 34 6.049 21.854 -13.926 203 HB2 GLU 34 HB2 GLU 34 5.023 19.838 -14.848 204 HB3 GLU 34 HB1 GLU 34 4.104 20.803 -16.001 205 HG2 GLU 34 HG2 GLU 34 6.549 21.697 -16.620 206 HG3 GLU 34 HG1 GLU 34 7.006 20.111 -15.999 207 H GLN 35 H GLN 35 7.140 23.549 -14.787 208 HA GLN 35 HA GLN 35 7.608 25.445 -16.086 209 HB2 GLN 35 HB2 GLN 35 6.058 23.731 -17.740 210 HB3 GLN 35 HB1 GLN 35 5.435 25.366 -17.964 211 HG2 GLN 35 HG2 GLN 35 7.210 25.140 -19.542 212 HG3 GLN 35 HG1 GLN 35 7.869 26.108 -18.224 213 HE21 GLN 35 1HE2 GLN 35 8.162 23.073 -19.933 214 HE22 GLN 35 2HE2 GLN 35 9.455 22.457 -19.022 215 H CYS 36 H CYS 36 5.655 25.482 -13.829 216 HA CYS 36 HA CYS 36 4.450 27.227 -12.797 217 HB2 CYS 36 HB2 CYS 36 4.451 28.707 -15.428 218 HB3 CYS 36 HB1 CYS 36 4.348 29.370 -13.796 219 H LYS 37 H LYS 37 3.468 25.245 -15.216 220 HA LYS 37 HA LYS 37 0.664 26.291 -15.098 221 HB2 LYS 37 HB2 LYS 37 2.290 25.207 -17.320 222 HB3 LYS 37 HB1 LYS 37 0.641 24.586 -17.230 223 HG2 LYS 37 HG2 LYS 37 0.089 26.485 -18.350 224 HG3 LYS 37 HG1 LYS 37 0.250 27.264 -16.775 225 HD2 LYS 37 HD2 LYS 37 2.473 27.973 -17.232 226 HD3 LYS 37 HD1 LYS 37 2.610 26.896 -18.624 227 HE2 LYS 37 HE2 LYS 37 0.336 28.652 -18.947 228 HE3 LYS 37 HE1 LYS 37 1.794 29.596 -18.640 229 HZ1 LYS 37 HZ1 LYS 37 2.817 28.802 -20.511 230 HZ2 LYS 37 HZ2 LYS 37 1.203 28.838 -21.039 231 HZ3 LYS 37 HZ3 LYS 37 1.908 27.371 -20.551 232 H PHE 38 H PHE 38 -1.017 24.561 -15.108 233 HA PHE 38 HA PHE 38 -0.402 22.528 -13.169 234 HB2 PHE 38 HB2 PHE 38 -2.793 22.727 -15.017 235 HB3 PHE 38 HB1 PHE 38 -2.682 21.711 -13.582 236 HD1 PHE 38 HD2 PHE 38 -1.262 23.484 -11.697 237 HD2 PHE 38 HD1 PHE 38 -4.432 24.350 -14.461 238 HE1 PHE 38 HE2 PHE 38 -1.990 25.376 -10.273 239 HE2 PHE 38 HE1 PHE 38 -5.158 26.243 -13.034 240 HZ PHE 38 HZ PHE 38 -3.935 26.757 -10.939 241 H SER 39 H SER 39 -0.285 20.244 -13.468 242 HA SER 39 HA SER 39 1.127 19.360 -15.788 243 HB2 SER 39 HB2 SER 39 1.166 18.220 -13.554 244 HB3 SER 39 HB1 SER 39 -0.475 17.664 -13.847 245 HG SER 39 HG SER 39 1.659 16.433 -14.539 246 H ARG 40 H ARG 40 -1.075 16.932 -15.596 247 HA ARG 40 HA ARG 40 -2.999 18.139 -17.498 248 HB2 ARG 40 HB2 ARG 40 -2.698 15.970 -18.894 249 HB3 ARG 40 HB1 ARG 40 -1.487 17.240 -19.066 250 HG2 ARG 40 HG2 ARG 40 -0.675 15.630 -16.874 251 HG3 ARG 40 HG1 ARG 40 -1.122 14.530 -18.177 252 HD2 ARG 40 HD2 ARG 40 0.553 16.935 -18.814 253 HD3 ARG 40 HD1 ARG 40 1.320 15.529 -18.076 254 HE ARG 40 HE ARG 40 -0.149 14.473 -20.185 255 HH11 ARG 40 1HH2 ARG 40 2.863 15.780 -19.577 256 HH12 ARG 40 2HH2 ARG 40 3.269 16.088 -21.231 257 HH21 ARG 40 1HH1 ARG 40 0.096 15.358 -22.422 258 HH22 ARG 40 2HH1 ARG 40 1.703 15.848 -22.842 259 H ALA 41 H ALA 41 -4.927 16.804 -17.755 260 HA ALA 41 HA ALA 41 -5.849 15.643 -15.312 261 HB1 ALA 41 HB1 ALA 41 -7.135 15.019 -17.955 262 HB2 ALA 41 HB2 ALA 41 -7.187 16.669 -17.333 263 HB3 ALA 41 HB3 ALA 41 -7.898 15.352 -16.400 264 H GLY 42 H GLY 42 -6.339 13.393 -14.893 265 HA2 GLY 42 HA2 GLY 42 -5.925 11.078 -15.018 266 HA3 GLY 42 HA1 GLY 42 -5.524 11.306 -16.724 267 H LYS 43 H LYS 43 -3.872 13.408 -14.598 268 HA LYS 43 HA LYS 43 -1.332 12.031 -15.189 269 HB2 LYS 43 HB2 LYS 43 -1.288 14.412 -15.451 270 HB3 LYS 43 HB1 LYS 43 -2.018 14.669 -13.873 271 HG2 LYS 43 HG2 LYS 43 0.542 13.151 -13.972 272 HG3 LYS 43 HG1 LYS 43 0.619 14.887 -14.254 273 HD2 LYS 43 HD2 LYS 43 -0.820 15.086 -12.115 274 HD3 LYS 43 HD1 LYS 43 -0.334 13.423 -11.797 275 HE2 LYS 43 HE2 LYS 43 1.331 15.912 -11.861 276 HE3 LYS 43 HE1 LYS 43 1.365 14.574 -10.713 277 HZ1 LYS 43 HZ1 LYS 43 2.632 14.808 -13.336 278 HZ2 LYS 43 HZ2 LYS 43 2.088 13.270 -12.859 279 HZ3 LYS 43 HZ3 LYS 43 3.220 14.107 -11.909 280 H ILE 44 H ILE 44 -0.654 10.453 -13.836 281 HA ILE 44 HA ILE 44 -1.796 9.915 -11.292 282 HB ILE 44 HB ILE 44 0.800 9.077 -12.590 283 HG12 ILE 44 2HG1 ILE 44 -1.480 8.234 -13.369 284 HG13 ILE 44 1HG1 ILE 44 -0.329 6.985 -12.894 285 HG21 ILE 44 1HG2 ILE 44 1.465 8.841 -10.378 286 HG22 ILE 44 2HG2 ILE 44 0.641 7.301 -10.627 287 HG23 ILE 44 3HG2 ILE 44 -0.185 8.620 -9.797 288 HD11 ILE 44 3HD1 ILE 44 -1.726 6.253 -11.290 289 HD12 ILE 44 1HD1 ILE 44 -2.927 7.417 -11.849 290 HD13 ILE 44 2HD1 ILE 44 -1.791 7.863 -10.574 291 H CYS 45 H CYS 45 -1.612 11.096 -9.483 292 HA CYS 45 HA CYS 45 0.820 12.789 -9.110 293 HB2 CYS 45 HB2 CYS 45 -0.668 13.893 -7.322 294 HB3 CYS 45 HB1 CYS 45 -1.098 14.182 -9.007 295 H ARG 46 H ARG 46 -1.200 10.312 -7.627 296 HA ARG 46 HA ARG 46 1.017 9.722 -5.751 297 HB2 ARG 46 HB2 ARG 46 -1.815 9.886 -4.719 298 HB3 ARG 46 HB1 ARG 46 -0.314 9.813 -3.795 299 HG2 ARG 46 HG2 ARG 46 0.297 12.047 -4.464 300 HG3 ARG 46 HG1 ARG 46 -1.036 12.122 -5.617 301 HD2 ARG 46 HD2 ARG 46 -1.607 13.343 -3.557 302 HD3 ARG 46 HD1 ARG 46 -2.653 11.938 -3.756 303 HE ARG 46 HE ARG 46 -1.854 11.462 -1.576 304 HH11 ARG 46 1HH2 ARG 46 0.433 13.602 -2.315 305 HH12 ARG 46 2HH2 ARG 46 1.809 12.663 -1.842 306 HH21 ARG 46 1HH1 ARG 46 0.025 9.699 -1.577 307 HH22 ARG 46 2HH1 ARG 46 1.578 10.451 -1.426 308 H ILE 47 H ILE 47 1.304 7.551 -5.582 309 HA ILE 47 HA ILE 47 -0.982 5.782 -6.300 310 HB ILE 47 HB ILE 47 0.650 6.080 -8.213 311 HG12 ILE 47 2HG1 ILE 47 -0.811 4.058 -7.892 312 HG13 ILE 47 1HG1 ILE 47 0.684 3.718 -8.762 313 HG21 ILE 47 1HG2 ILE 47 2.634 6.130 -6.555 314 HG22 ILE 47 2HG2 ILE 47 2.850 5.242 -8.064 315 HG23 ILE 47 3HG2 ILE 47 2.511 4.372 -6.569 316 HD11 ILE 47 3HD1 ILE 47 0.644 1.982 -7.202 317 HD12 ILE 47 1HD1 ILE 47 -0.074 2.992 -5.948 318 HD13 ILE 47 2HD1 ILE 47 1.628 3.182 -6.367 319 HA PRO 48 HA PRO 48 0.549 4.162 -2.395 320 HB2 PRO 48 HB2 PRO 48 -1.708 2.676 -1.887 321 HB3 PRO 48 HB1 PRO 48 -1.582 4.411 -1.546 322 HG2 PRO 48 HG2 PRO 48 -3.050 3.030 -3.745 323 HG3 PRO 48 HG1 PRO 48 -3.373 4.601 -2.992 324 HD2 PRO 48 HD2 PRO 48 -2.112 4.189 -5.492 325 HD3 PRO 48 HD1 PRO 48 -2.146 5.711 -4.577 326 H ARG 49 H ARG 49 1.765 2.307 -2.138 327 HA ARG 49 HA ARG 49 1.376 0.129 -4.135 328 HB2 ARG 49 HB2 ARG 49 3.705 1.082 -2.490 329 HB3 ARG 49 HB1 ARG 49 3.682 -0.576 -3.091 330 HG2 ARG 49 HG2 ARG 49 4.537 0.275 -5.006 331 HG3 ARG 49 HG1 ARG 49 2.913 0.894 -5.308 332 HD2 ARG 49 HD2 ARG 49 4.672 2.665 -5.472 333 HD3 ARG 49 HD1 ARG 49 3.468 3.007 -4.230 334 HE ARG 49 HE ARG 49 5.873 1.604 -3.281 335 HH11 ARG 49 1HH2 ARG 49 3.973 3.418 -1.704 336 HH12 ARG 49 2HH2 ARG 49 4.977 4.809 -1.461 337 HH21 ARG 49 1HH1 ARG 49 7.287 3.894 -3.879 338 HH22 ARG 49 2HH1 ARG 49 6.854 5.077 -2.691 339 H LEU 50 H LEU 50 -0.375 0.392 -1.816 340 HA LEU 50 HA LEU 50 0.345 -2.162 -0.447 341 HB2 LEU 50 HB2 LEU 50 -0.972 -1.175 1.547 342 HB3 LEU 50 HB1 LEU 50 0.661 -0.579 1.268 343 HG LEU 50 HG LEU 50 -1.069 1.209 1.745 344 HD11 LEU 50 1HD1 LEU 50 -0.263 2.048 -0.894 345 HD12 LEU 50 2HD1 LEU 50 1.046 1.154 -0.122 346 HD13 LEU 50 3HD1 LEU 50 0.356 2.570 0.673 347 HD21 LEU 50 3HD2 LEU 50 -2.901 0.147 0.430 348 HD22 LEU 50 1HD2 LEU 50 -2.016 0.506 -1.051 349 HD23 LEU 50 2HD2 LEU 50 -2.613 1.820 -0.043 350 H ASP 51 H ASP 51 -1.284 -1.939 -2.777 351 HA ASP 51 HA ASP 51 -3.285 -2.944 -3.509 352 HB2 ASP 51 HB2 ASP 51 -2.979 -3.905 -0.882 353 HB3 ASP 51 HB1 ASP 51 -4.631 -3.293 -0.967 354 H MET 52 H MET 52 -3.199 -0.288 -3.675 355 HA MET 52 HA MET 52 -5.944 0.528 -2.872 356 HB2 MET 52 HB2 MET 52 -3.365 1.845 -2.131 357 HB3 MET 52 HB1 MET 52 -4.733 2.885 -2.526 358 HG2 MET 52 HG2 MET 52 -4.769 0.653 -0.473 359 HG3 MET 52 HG1 MET 52 -4.656 2.374 -0.104 360 HE1 MET 52 HE1 MET 52 -7.844 3.635 0.252 361 HE2 MET 52 HE2 MET 52 -7.023 4.148 -1.221 362 HE3 MET 52 HE3 MET 52 -6.080 3.765 0.217 363 HA PRO 53 HA PRO 53 -6.089 2.217 -6.917 364 HB2 PRO 53 HB2 PRO 53 -7.647 4.449 -6.527 365 HB3 PRO 53 HB1 PRO 53 -8.283 2.794 -6.518 366 HG2 PRO 53 HG2 PRO 53 -7.790 4.630 -4.215 367 HG3 PRO 53 HG1 PRO 53 -8.960 3.309 -4.367 368 HD2 PRO 53 HD2 PRO 53 -6.512 3.180 -2.967 369 HD3 PRO 53 HD1 PRO 53 -7.511 1.789 -3.443 370 H ASP 54 H ASP 54 -5.445 4.104 -8.261 371 HA ASP 54 HA ASP 54 -3.286 5.653 -6.923 372 HB2 ASP 54 HB2 ASP 54 -3.791 5.521 -9.895 373 HB3 ASP 54 HB1 ASP 54 -2.281 5.871 -9.053 374 H ASP 55 H ASP 55 -3.126 7.946 -7.284 375 HA ASP 55 HA ASP 55 -5.774 9.211 -7.798 376 HB2 ASP 55 HB2 ASP 55 -3.275 10.255 -6.431 377 HB3 ASP 55 HB1 ASP 55 -4.741 11.202 -6.683 378 H ARG 56 H ARG 56 -6.056 10.356 -9.663 379 HA ARG 56 HA ARG 56 -3.607 11.033 -11.242 380 HB2 ARG 56 HB2 ARG 56 -6.438 10.618 -12.252 381 HB3 ARG 56 HB1 ARG 56 -4.997 10.863 -13.239 382 HG2 ARG 56 HG2 ARG 56 -4.233 8.750 -11.661 383 HG3 ARG 56 HG1 ARG 56 -5.952 8.425 -11.886 384 HD2 ARG 56 HD2 ARG 56 -4.849 9.277 -14.392 385 HD3 ARG 56 HD1 ARG 56 -3.837 7.989 -13.741 386 HE ARG 56 HE ARG 56 -6.018 6.667 -13.515 387 HH11 ARG 56 1HH1 ARG 56 -7.520 9.191 -14.562 388 HH12 ARG 56 2HH1 ARG 56 -7.882 8.675 -16.175 389 HH21 ARG 56 1HH2 ARG 56 -5.658 6.015 -16.104 390 HH22 ARG 56 2HH2 ARG 56 -6.829 6.874 -17.048 391 H CYS 57 H CYS 57 -3.612 13.101 -12.351 392 HA CYS 57 HA CYS 57 -4.928 15.200 -10.795 393 HB2 CYS 57 HB2 CYS 57 -2.600 15.085 -12.254 394 HB3 CYS 57 HB1 CYS 57 -3.639 16.005 -13.313 395 H THR 58 H THR 58 -6.359 16.793 -11.709 396 HA THR 58 HA THR 58 -8.218 15.642 -13.670 397 HB THR 58 HB THR 58 -9.613 17.603 -13.144 398 HG1 THR 58 HG1 THR 58 -8.545 18.821 -11.248 399 HG21 THR 58 3HG2 THR 58 -9.338 15.523 -11.587 400 HG22 THR 58 1HG2 THR 58 -10.185 16.941 -10.972 401 HG23 THR 58 2HG2 THR 58 -8.506 16.651 -10.517 402 H GLY 59 H GLY 59 -5.420 17.447 -13.848 403 HA2 GLY 59 HA2 GLY 59 -4.447 18.409 -15.791 404 HA3 GLY 59 HA1 GLY 59 -5.994 18.216 -16.623 405 H GLN 60 H GLN 60 -6.467 19.558 -13.592 406 HA GLN 60 HA GLN 60 -6.231 22.354 -14.592 407 HB2 GLN 60 HB2 GLN 60 -8.638 21.518 -12.995 408 HB3 GLN 60 HB1 GLN 60 -8.453 22.886 -14.093 409 HG2 GLN 60 HG2 GLN 60 -8.523 21.464 -16.020 410 HG3 GLN 60 HG1 GLN 60 -8.377 20.010 -15.031 411 HE21 GLN 60 1HE2 GLN 60 -10.267 19.691 -13.403 412 HE22 GLN 60 2HE2 GLN 60 -11.816 20.148 -13.925 413 H SER 61 H SER 61 -6.479 20.107 -11.867 414 HA SER 61 HA SER 61 -5.960 22.255 -9.919 415 HB2 SER 61 HB2 SER 61 -5.759 19.318 -9.303 416 HB3 SER 61 HB1 SER 61 -6.291 20.635 -8.261 417 HG SER 61 HG SER 61 -8.137 20.827 -9.607 418 H ALA 62 H ALA 62 -3.996 22.559 -8.821 419 HA ALA 62 HA ALA 62 -1.607 21.577 -10.234 420 HB1 ALA 62 HB1 ALA 62 -0.845 23.014 -7.926 421 HB2 ALA 62 HB2 ALA 62 -2.286 23.824 -8.540 422 HB3 ALA 62 HB3 ALA 62 -0.881 23.612 -9.585 423 H ASP 63 H ASP 63 -2.835 21.520 -6.872 424 HA ASP 63 HA ASP 63 -0.836 19.532 -6.087 425 HB2 ASP 63 HB2 ASP 63 -3.309 20.222 -4.503 426 HB3 ASP 63 HB1 ASP 63 -1.719 19.744 -3.909 427 H CYS 64 H CYS 64 -1.911 17.539 -4.796 428 HA CYS 64 HA CYS 64 -3.978 16.371 -6.615 429 HB2 CYS 64 HB2 CYS 64 -1.859 15.279 -7.036 430 HB3 CYS 64 HB1 CYS 64 -1.595 15.030 -5.312 431 HA PRO 65 HA PRO 65 -6.101 16.100 -2.735 432 HB2 PRO 65 HB2 PRO 65 -8.482 15.433 -3.908 433 HB3 PRO 65 HB1 PRO 65 -7.902 17.093 -3.770 434 HG2 PRO 65 HG2 PRO 65 -8.047 15.325 -6.158 435 HG3 PRO 65 HG1 PRO 65 -8.031 17.094 -6.072 436 HD2 PRO 65 HD2 PRO 65 -5.838 15.438 -6.751 437 HD3 PRO 65 HD1 PRO 65 -5.767 17.171 -6.363 438 H ARG 66 H ARG 66 -8.188 14.222 -2.469 439 HA ARG 66 HA ARG 66 -6.750 11.634 -2.908 440 HB2 ARG 66 HB2 ARG 66 -7.770 12.852 -0.488 441 HB3 ARG 66 HB1 ARG 66 -8.574 11.309 -0.782 442 HG2 ARG 66 HG2 ARG 66 -6.084 10.530 -1.330 443 HG3 ARG 66 HG1 ARG 66 -5.687 11.873 -0.256 444 HD2 ARG 66 HD2 ARG 66 -7.833 10.446 0.947 445 HD3 ARG 66 HD1 ARG 66 -6.637 9.254 0.440 446 HE ARG 66 HE ARG 66 -5.266 11.390 1.730 447 HH11 ARG 66 1HH2 ARG 66 -6.572 8.311 2.141 448 HH12 ARG 66 2HH2 ARG 66 -6.499 8.324 3.871 449 HH21 ARG 66 1HH1 ARG 66 -5.568 11.659 4.071 450 HH22 ARG 66 2HH1 ARG 66 -5.929 10.221 4.964 451 H TYR 67 H TYR 67 -8.055 9.838 -3.505 452 HA TYR 67 HA TYR 67 -10.722 10.618 -4.582 453 HB2 TYR 67 HB2 TYR 67 -9.250 9.690 -6.264 454 HB3 TYR 67 HB1 TYR 67 -8.879 8.304 -5.239 455 HD1 TYR 67 HD2 TYR 67 -12.080 10.043 -6.129 456 HD2 TYR 67 HD1 TYR 67 -9.851 6.370 -6.126 457 HE1 TYR 67 HE2 TYR 67 -14.051 8.847 -7.039 458 HE2 TYR 67 HE1 TYR 67 -11.825 5.173 -7.037 459 HH TYR 67 HH TYR 67 -14.177 5.386 -7.231 460 H HIS 68 H HIS 68 -9.106 8.000 -2.767 461 HA HIS 68 HA HIS 68 -9.983 6.672 -1.026 462 HB2 HIS 68 HB2 HIS 68 -11.347 8.897 -0.636 463 HB3 HIS 68 HB1 HIS 68 -12.674 7.967 -1.330 464 HD1 HIS 68 HD1 HIS 68 -13.969 6.663 0.347 465 HD2 HIS 68 HD2 HIS 68 -10.030 7.245 1.582 466 HE1 HIS 68 HE1 HIS 68 -13.773 5.604 2.640 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -1.186 29.331 -6.766 2 H2 GLY 1 HT2 GLY 1 -0.751 30.730 -5.907 3 H3 GLY 1 HT3 GLY 1 0.168 29.310 -5.745 4 HA2 GLY 1 HA1 GLY 1 1.404 30.713 -7.158 5 HA3 GLY 1 HA2 GLY 1 0.676 29.473 -8.179 6 H LYS 2 H LYS 2 -0.081 32.720 -6.866 7 HA LYS 2 HA LYS 2 -1.928 33.251 -9.076 8 HB2 LYS 2 HB2 LYS 2 -0.814 35.140 -6.980 9 HB3 LYS 2 HB1 LYS 2 -2.198 35.446 -8.030 10 HG2 LYS 2 HG2 LYS 2 -2.415 32.913 -6.575 11 HG3 LYS 2 HG1 LYS 2 -2.324 34.313 -5.506 12 HD2 LYS 2 HD2 LYS 2 -4.322 35.176 -6.237 13 HD3 LYS 2 HD1 LYS 2 -4.110 34.553 -7.874 14 HE2 LYS 2 HE2 LYS 2 -4.624 32.725 -5.523 15 HE3 LYS 2 HE1 LYS 2 -5.939 33.440 -6.456 16 HZ1 LYS 2 HZ1 LYS 2 -5.646 31.587 -7.682 17 HZ2 LYS 2 HZ2 LYS 2 -4.027 31.382 -7.213 18 HZ3 LYS 2 HZ3 LYS 2 -4.429 32.510 -8.419 19 H GLU 3 H GLU 3 0.979 35.032 -7.955 20 HA GLU 3 HA GLU 3 1.401 35.947 -10.739 21 HB2 GLU 3 HB2 GLU 3 1.575 37.549 -8.811 22 HB3 GLU 3 HB1 GLU 3 2.977 36.641 -8.243 23 HG2 GLU 3 HG2 GLU 3 4.291 37.797 -9.653 24 HG3 GLU 3 HG1 GLU 3 3.365 37.170 -11.017 25 H CYS 4 H CYS 4 2.422 33.441 -8.695 26 HA CYS 4 HA CYS 4 4.849 33.013 -10.383 27 HB2 CYS 4 HB2 CYS 4 4.460 32.896 -7.495 28 HB3 CYS 4 HB1 CYS 4 5.116 31.397 -8.128 29 H ASP 5 H ASP 5 4.095 31.603 -11.944 30 HA ASP 5 HA ASP 5 2.224 29.458 -11.205 31 HB2 ASP 5 HB2 ASP 5 2.422 30.854 -13.462 32 HB3 ASP 5 HB1 ASP 5 3.566 29.577 -13.876 33 H CYS 6 H CYS 6 5.317 29.745 -10.511 34 HA CYS 6 HA CYS 6 5.788 26.853 -10.607 35 HB2 CYS 6 HB2 CYS 6 7.946 27.053 -11.808 36 HB3 CYS 6 HB1 CYS 6 6.592 27.538 -12.829 37 H SER 7 H SER 7 7.928 26.349 -9.477 38 HA SER 7 HA SER 7 8.498 28.471 -7.443 39 HB2 SER 7 HB2 SER 7 7.409 25.994 -6.953 40 HB3 SER 7 HB1 SER 7 9.125 25.691 -6.697 41 HG SER 7 HG SER 7 8.332 26.442 -4.782 42 H SER 8 H SER 8 9.786 26.796 -10.027 43 HA SER 8 HA SER 8 12.554 27.043 -8.918 44 HB2 SER 8 HB2 SER 8 11.565 25.274 -11.176 45 HB3 SER 8 HB1 SER 8 13.224 25.359 -10.591 46 HG SER 8 HG SER 8 11.261 23.858 -9.683 47 HA PRO 9 HA PRO 9 13.098 30.188 -11.965 48 HB2 PRO 9 HB2 PRO 9 15.835 30.357 -11.790 49 HB3 PRO 9 HB1 PRO 9 14.732 31.036 -10.580 50 HG2 PRO 9 HG2 PRO 9 16.427 28.588 -10.409 51 HG3 PRO 9 HG1 PRO 9 15.830 29.632 -9.109 52 HD2 PRO 9 HD2 PRO 9 14.755 27.116 -9.848 53 HD3 PRO 9 HD1 PRO 9 13.986 28.309 -8.778 54 H GLU 10 H GLU 10 13.994 26.971 -12.371 55 HA GLU 10 HA GLU 10 15.321 27.486 -14.988 56 HB2 GLU 10 HB2 GLU 10 15.721 24.968 -14.909 57 HB3 GLU 10 HB1 GLU 10 16.557 25.915 -13.680 58 HG2 GLU 10 HG2 GLU 10 14.884 25.347 -12.019 59 HG3 GLU 10 HG1 GLU 10 13.891 24.543 -13.236 60 H ASN 11 H ASN 11 12.266 26.769 -13.704 61 HA ASN 11 HA ASN 11 11.166 24.938 -15.540 62 HB2 ASN 11 HB2 ASN 11 10.072 26.097 -13.496 63 HB3 ASN 11 HB1 ASN 11 9.649 27.380 -14.631 64 HD21 ASN 11 1HD2 ASN 11 8.821 24.174 -13.562 65 HD22 ASN 11 2HD2 ASN 11 7.579 23.897 -14.685 66 HA PRO 12 HA PRO 12 11.686 27.429 -19.222 67 HB2 PRO 12 HB2 PRO 12 10.926 25.442 -20.962 68 HB3 PRO 12 HB1 PRO 12 12.543 25.554 -20.245 69 HG2 PRO 12 HG2 PRO 12 10.325 23.677 -19.587 70 HG3 PRO 12 HG1 PRO 12 12.071 23.468 -19.376 71 HD2 PRO 12 HD2 PRO 12 10.211 24.131 -17.339 72 HD3 PRO 12 HD1 PRO 12 11.981 24.209 -17.211 73 H CYS 13 H CYS 13 8.940 26.869 -17.653 74 HA CYS 13 HA CYS 13 7.163 27.522 -19.966 75 HB2 CYS 13 HB2 CYS 13 6.415 26.523 -17.201 76 HB3 CYS 13 HB1 CYS 13 5.314 26.759 -18.558 77 H CYS 14 H CYS 14 7.517 28.273 -16.489 78 HA CYS 14 HA CYS 14 6.089 30.796 -16.807 79 HB2 CYS 14 HB2 CYS 14 6.549 31.110 -14.427 80 HB3 CYS 14 HB1 CYS 14 5.983 29.464 -14.709 81 H ASP 15 H ASP 15 6.982 32.764 -17.216 82 HA ASP 15 HA ASP 15 9.694 33.038 -18.046 83 HB2 ASP 15 HB2 ASP 15 7.378 34.775 -17.681 84 HB3 ASP 15 HB1 ASP 15 8.876 35.583 -17.220 85 H ALA 16 H ALA 16 11.537 33.466 -16.879 86 HA ALA 16 HA ALA 16 11.419 33.254 -13.978 87 HB1 ALA 16 HB1 ALA 16 13.295 32.520 -15.714 88 HB2 ALA 16 HB2 ALA 16 13.719 33.000 -14.071 89 HB3 ALA 16 HB3 ALA 16 13.896 34.147 -15.399 90 H ALA 17 H ALA 17 10.807 35.806 -15.993 91 HA ALA 17 HA ALA 17 12.121 37.839 -14.283 92 HB1 ALA 17 HB1 ALA 17 11.599 39.406 -15.969 93 HB2 ALA 17 HB2 ALA 17 10.289 38.413 -16.608 94 HB3 ALA 17 HB3 ALA 17 11.966 37.936 -16.871 95 H THR 18 H THR 18 8.847 36.849 -15.304 96 HA THR 18 HA THR 18 7.768 38.485 -13.045 97 HB THR 18 HB THR 18 5.608 38.397 -14.275 98 HG1 THR 18 HG1 THR 18 6.177 37.706 -16.626 99 HG21 THR 18 3HG2 THR 18 6.675 40.365 -14.828 100 HG22 THR 18 1HG2 THR 18 6.633 39.610 -16.422 101 HG23 THR 18 2HG2 THR 18 8.102 39.539 -15.449 102 H CYS 19 H CYS 19 8.607 35.378 -13.762 103 HA CYS 19 HA CYS 19 8.038 33.314 -12.790 104 HB2 CYS 19 HB2 CYS 19 7.980 34.933 -10.722 105 HB3 CYS 19 HB1 CYS 19 6.246 34.776 -10.871 106 H LYS 20 H LYS 20 6.608 33.654 -15.018 107 HA LYS 20 HA LYS 20 4.072 32.366 -14.371 108 HB2 LYS 20 HB2 LYS 20 4.109 35.216 -14.614 109 HB3 LYS 20 HB1 LYS 20 3.261 34.555 -16.010 110 HG2 LYS 20 HG2 LYS 20 2.626 33.403 -13.328 111 HG3 LYS 20 HG1 LYS 20 1.990 35.004 -13.708 112 HD2 LYS 20 HD2 LYS 20 1.527 33.493 -16.023 113 HD3 LYS 20 HD1 LYS 20 1.126 32.407 -14.691 114 HE2 LYS 20 HE2 LYS 20 -0.087 34.591 -13.755 115 HE3 LYS 20 HE1 LYS 20 -0.141 35.000 -15.469 116 HZ1 LYS 20 HZ1 LYS 20 -1.033 32.651 -15.772 117 HZ2 LYS 20 HZ2 LYS 20 -2.083 33.803 -15.095 118 HZ3 LYS 20 HZ3 LYS 20 -1.314 32.660 -14.099 119 H LEU 21 H LEU 21 3.196 31.316 -16.200 120 HA LEU 21 HA LEU 21 4.998 30.690 -18.298 121 HB2 LEU 21 HB2 LEU 21 2.026 30.455 -18.674 122 HB3 LEU 21 HB1 LEU 21 3.298 29.358 -19.197 123 HG LEU 21 HG LEU 21 3.540 29.521 -16.395 124 HD11 LEU 21 1HD1 LEU 21 1.441 30.155 -15.765 125 HD12 LEU 21 2HD1 LEU 21 1.030 28.483 -16.146 126 HD13 LEU 21 3HD1 LEU 21 0.743 29.755 -17.333 127 HD21 LEU 21 3HD2 LEU 21 2.047 27.230 -17.496 128 HD22 LEU 21 1HD2 LEU 21 3.579 27.264 -16.624 129 HD23 LEU 21 2HD2 LEU 21 3.542 27.609 -18.353 130 H ARG 22 H ARG 22 5.706 32.038 -19.843 131 HA ARG 22 HA ARG 22 4.340 34.509 -20.481 132 HB2 ARG 22 HB2 ARG 22 6.902 33.809 -20.656 133 HB3 ARG 22 HB1 ARG 22 6.431 33.411 -22.308 134 HG2 ARG 22 HG2 ARG 22 5.249 35.919 -21.704 135 HG3 ARG 22 HG1 ARG 22 6.929 36.001 -21.172 136 HD2 ARG 22 HD2 ARG 22 7.737 35.379 -23.348 137 HD3 ARG 22 HD1 ARG 22 6.115 34.958 -23.896 138 HE ARG 22 HE ARG 22 6.176 37.208 -24.645 139 HH11 ARG 22 1HH1 ARG 22 8.565 37.443 -22.470 140 HH12 ARG 22 2HH1 ARG 22 8.025 38.888 -21.684 141 HH21 ARG 22 1HH2 ARG 22 4.893 38.842 -23.171 142 HH22 ARG 22 2HH2 ARG 22 5.945 39.682 -22.082 143 HA PRO 23 HA PRO 23 3.309 32.332 -24.596 144 HB2 PRO 23 HB2 PRO 23 3.715 29.618 -24.742 145 HB3 PRO 23 HB1 PRO 23 4.937 30.819 -25.194 146 HG2 PRO 23 HG2 PRO 23 4.818 29.088 -22.775 147 HG3 PRO 23 HG1 PRO 23 6.224 29.828 -23.557 148 HD2 PRO 23 HD2 PRO 23 4.926 30.755 -21.206 149 HD3 PRO 23 HD1 PRO 23 6.156 31.626 -22.144 150 H GLY 24 H GLY 24 1.526 30.689 -25.319 151 HA2 GLY 24 HA2 GLY 24 -0.591 30.742 -23.354 152 HA3 GLY 24 HA1 GLY 24 -0.683 29.984 -24.943 153 H ALA 25 H ALA 25 1.201 29.427 -21.938 154 HA ALA 25 HA ALA 25 0.977 26.520 -22.376 155 HB1 ALA 25 HB1 ALA 25 2.249 26.602 -20.060 156 HB2 ALA 25 HB2 ALA 25 2.499 28.292 -20.493 157 HB3 ALA 25 HB3 ALA 25 3.099 27.014 -21.549 158 H GLN 26 H GLN 26 0.344 25.190 -20.354 159 HA GLN 26 HA GLN 26 -2.210 26.311 -19.341 160 HB2 GLN 26 HB2 GLN 26 -1.084 23.500 -19.138 161 HB3 GLN 26 HB1 GLN 26 -2.708 23.997 -18.667 162 HG2 GLN 26 HG2 GLN 26 -2.094 24.857 -21.375 163 HG3 GLN 26 HG1 GLN 26 -1.912 23.111 -21.203 164 HE21 GLN 26 1HE2 GLN 26 -4.217 25.425 -19.660 165 HE22 GLN 26 2HE2 GLN 26 -5.609 24.590 -20.156 166 H CYS 27 H CYS 27 0.651 24.593 -18.052 167 HA CYS 27 HA CYS 27 0.471 26.254 -15.612 168 HB2 CYS 27 HB2 CYS 27 0.873 24.007 -14.308 169 HB3 CYS 27 HB1 CYS 27 -0.769 24.478 -14.748 170 H GLY 28 H GLY 28 2.483 26.247 -14.400 171 HA2 GLY 28 HA2 GLY 28 4.798 25.555 -16.123 172 HA3 GLY 28 HA1 GLY 28 4.839 26.656 -14.747 173 H GLU 29 H GLU 29 3.375 24.808 -12.988 174 HA GLU 29 HA GLU 29 5.263 22.521 -12.780 175 HB2 GLU 29 HB2 GLU 29 5.896 24.644 -11.350 176 HB3 GLU 29 HB1 GLU 29 4.594 24.078 -10.303 177 HG2 GLU 29 HG2 GLU 29 6.046 22.622 -9.391 178 HG3 GLU 29 HG1 GLU 29 6.097 21.784 -10.943 179 H GLY 30 H GLY 30 4.429 20.812 -11.377 180 HA2 GLY 30 HA2 GLY 30 2.146 20.653 -9.886 181 HA3 GLY 30 HA1 GLY 30 1.506 20.625 -11.531 182 H LEU 31 H LEU 31 1.147 18.407 -9.897 183 HA LEU 31 HA LEU 31 3.256 16.447 -10.360 184 HB2 LEU 31 HB2 LEU 31 0.579 16.485 -9.066 185 HB3 LEU 31 HB1 LEU 31 1.125 14.928 -9.690 186 HG LEU 31 HG LEU 31 2.895 16.666 -7.966 187 HD11 LEU 31 1HD1 LEU 31 0.965 14.487 -7.102 188 HD12 LEU 31 2HD1 LEU 31 0.868 16.196 -6.674 189 HD13 LEU 31 3HD1 LEU 31 2.198 15.211 -6.069 190 HD21 LEU 31 3HD2 LEU 31 3.254 14.277 -9.440 191 HD22 LEU 31 1HD2 LEU 31 3.199 13.801 -7.743 192 HD23 LEU 31 2HD2 LEU 31 4.376 14.997 -8.285 193 H CYS 32 H CYS 32 1.183 17.876 -12.456 194 HA CYS 32 HA CYS 32 1.357 15.595 -14.318 195 HB2 CYS 32 HB2 CYS 32 -1.020 16.107 -12.889 196 HB3 CYS 32 HB1 CYS 32 -1.294 16.730 -14.516 197 H CYS 33 H CYS 33 2.680 18.135 -14.288 198 HA CYS 33 HA CYS 33 1.424 19.383 -16.700 199 HB2 CYS 33 HB2 CYS 33 1.398 20.758 -14.512 200 HB3 CYS 33 HB1 CYS 33 3.139 20.912 -14.742 201 H GLU 34 H GLU 34 2.693 18.850 -18.411 202 HA GLU 34 HA GLU 34 5.654 19.064 -18.056 203 HB2 GLU 34 HB2 GLU 34 4.915 16.674 -18.149 204 HB3 GLU 34 HB1 GLU 34 4.219 16.988 -19.738 205 HG2 GLU 34 HG2 GLU 34 6.454 16.026 -19.995 206 HG3 GLU 34 HG1 GLU 34 6.460 17.702 -20.548 207 H GLN 35 H GLN 35 6.755 19.976 -19.827 208 HA GLN 35 HA GLN 35 6.994 21.288 -21.758 209 HB2 GLN 35 HB2 GLN 35 5.487 19.070 -22.494 210 HB3 GLN 35 HB1 GLN 35 4.528 20.430 -23.077 211 HG2 GLN 35 HG2 GLN 35 6.822 21.326 -23.974 212 HG3 GLN 35 HG1 GLN 35 7.333 19.645 -23.819 213 HE21 GLN 35 1HE2 GLN 35 6.046 21.765 -26.036 214 HE22 GLN 35 2HE2 GLN 35 5.215 20.665 -27.027 215 H CYS 36 H CYS 36 5.080 22.004 -19.443 216 HA CYS 36 HA CYS 36 3.825 23.929 -18.933 217 HB2 CYS 36 HB2 CYS 36 3.977 24.838 -21.792 218 HB3 CYS 36 HB1 CYS 36 4.019 25.800 -20.313 219 H LYS 37 H LYS 37 2.608 21.455 -19.845 220 HA LYS 37 HA LYS 37 -0.016 22.557 -20.621 221 HB2 LYS 37 HB2 LYS 37 1.675 20.827 -22.375 222 HB3 LYS 37 HB1 LYS 37 -0.060 20.509 -22.336 223 HG2 LYS 37 HG2 LYS 37 -0.293 23.088 -22.660 224 HG3 LYS 37 HG1 LYS 37 1.380 23.002 -23.212 225 HD2 LYS 37 HD2 LYS 37 0.599 21.111 -24.764 226 HD3 LYS 37 HD1 LYS 37 -1.043 21.634 -24.389 227 HE2 LYS 37 HE2 LYS 37 -0.111 24.019 -25.011 228 HE3 LYS 37 HE1 LYS 37 1.115 23.094 -25.877 229 HZ1 LYS 37 HZ1 LYS 37 -0.523 23.324 -27.452 230 HZ2 LYS 37 HZ2 LYS 37 -1.790 23.202 -26.328 231 HZ3 LYS 37 HZ3 LYS 37 -0.921 21.816 -26.787 232 H PHE 38 H PHE 38 -1.718 20.799 -20.465 233 HA PHE 38 HA PHE 38 -1.344 19.298 -18.027 234 HB2 PHE 38 HB2 PHE 38 -3.528 19.072 -20.123 235 HB3 PHE 38 HB1 PHE 38 -3.593 18.398 -18.495 236 HD1 PHE 38 HD2 PHE 38 -2.230 20.634 -17.003 237 HD2 PHE 38 HD1 PHE 38 -5.279 20.691 -20.029 238 HE1 PHE 38 HE2 PHE 38 -3.056 22.804 -16.130 239 HE2 PHE 38 HE1 PHE 38 -6.104 22.860 -19.157 240 HZ PHE 38 HZ PHE 38 -4.993 23.917 -17.208 241 H SER 39 H SER 39 -0.555 17.250 -17.793 242 HA SER 39 HA SER 39 0.689 15.852 -19.916 243 HB2 SER 39 HB2 SER 39 -0.304 14.920 -17.218 244 HB3 SER 39 HB1 SER 39 0.578 13.865 -18.319 245 HG SER 39 HG SER 39 2.280 15.386 -18.280 246 H ARG 40 H ARG 40 -1.515 13.720 -18.349 247 HA ARG 40 HA ARG 40 -3.362 13.760 -20.677 248 HB2 ARG 40 HB2 ARG 40 -1.869 11.317 -19.676 249 HB3 ARG 40 HB1 ARG 40 -3.192 11.275 -20.843 250 HG2 ARG 40 HG2 ARG 40 -1.873 11.998 -22.539 251 HG3 ARG 40 HG1 ARG 40 -1.086 13.207 -21.527 252 HD2 ARG 40 HD2 ARG 40 -0.176 10.781 -20.499 253 HD3 ARG 40 HD1 ARG 40 -0.179 10.528 -22.245 254 HE ARG 40 HE ARG 40 1.683 12.177 -20.822 255 HH11 ARG 40 1HH2 ARG 40 1.644 11.029 -23.736 256 HH12 ARG 40 2HH2 ARG 40 1.829 12.502 -24.630 257 HH21 ARG 40 1HH1 ARG 40 1.082 14.543 -21.927 258 HH22 ARG 40 2HH1 ARG 40 1.507 14.492 -23.606 259 H ALA 41 H ALA 41 -5.262 12.200 -20.203 260 HA ALA 41 HA ALA 41 -6.196 12.758 -17.474 261 HB1 ALA 41 HB1 ALA 41 -7.611 11.190 -19.645 262 HB2 ALA 41 HB2 ALA 41 -7.655 12.950 -19.540 263 HB3 ALA 41 HB3 ALA 41 -8.339 11.972 -18.241 264 H GLY 42 H GLY 42 -6.664 11.155 -15.910 265 HA2 GLY 42 HA2 GLY 42 -6.490 9.055 -14.853 266 HA3 GLY 42 HA1 GLY 42 -6.373 8.326 -16.457 267 H LYS 43 H LYS 43 -4.260 10.897 -15.352 268 HA LYS 43 HA LYS 43 -1.931 9.127 -15.785 269 HB2 LYS 43 HB2 LYS 43 -1.652 11.242 -16.805 270 HB3 LYS 43 HB1 LYS 43 -2.299 12.097 -15.407 271 HG2 LYS 43 HG2 LYS 43 0.155 12.333 -15.536 272 HG3 LYS 43 HG1 LYS 43 -0.322 11.452 -14.086 273 HD2 LYS 43 HD2 LYS 43 0.217 9.329 -15.126 274 HD3 LYS 43 HD1 LYS 43 0.531 10.121 -16.671 275 HE2 LYS 43 HE2 LYS 43 2.649 10.573 -16.063 276 HE3 LYS 43 HE1 LYS 43 2.090 11.384 -14.599 277 HZ1 LYS 43 HZ1 LYS 43 3.420 8.989 -14.740 278 HZ2 LYS 43 HZ2 LYS 43 1.813 8.562 -14.391 279 HZ3 LYS 43 HZ3 LYS 43 2.648 9.640 -13.376 280 H ILE 44 H ILE 44 -1.001 8.085 -14.094 281 HA ILE 44 HA ILE 44 -1.859 8.363 -11.399 282 HB ILE 44 HB ILE 44 0.692 7.234 -12.573 283 HG12 ILE 44 2HG1 ILE 44 -1.558 6.170 -13.094 284 HG13 ILE 44 1HG1 ILE 44 -0.397 5.106 -12.299 285 HG21 ILE 44 1HG2 ILE 44 1.516 7.086 -10.486 286 HG22 ILE 44 2HG2 ILE 44 0.114 6.123 -10.020 287 HG23 ILE 44 3HG2 ILE 44 0.077 7.877 -9.841 288 HD11 ILE 44 3HD1 ILE 44 -2.181 6.701 -10.529 289 HD12 ILE 44 1HD1 ILE 44 -1.582 5.053 -10.332 290 HD13 ILE 44 2HD1 ILE 44 -2.927 5.378 -11.426 291 H CYS 45 H CYS 45 -1.487 10.004 -10.019 292 HA CYS 45 HA CYS 45 0.960 11.677 -10.431 293 HB2 CYS 45 HB2 CYS 45 -0.428 13.417 -9.152 294 HB3 CYS 45 HB1 CYS 45 -0.913 13.072 -10.813 295 H ARG 46 H ARG 46 -0.827 9.710 -8.189 296 HA ARG 46 HA ARG 46 1.368 9.975 -6.252 297 HB2 ARG 46 HB2 ARG 46 -0.034 11.823 -5.536 298 HB3 ARG 46 HB1 ARG 46 -1.473 10.803 -5.587 299 HG2 ARG 46 HG2 ARG 46 0.556 9.559 -3.950 300 HG3 ARG 46 HG1 ARG 46 0.253 11.205 -3.388 301 HD2 ARG 46 HD2 ARG 46 -1.866 9.091 -3.873 302 HD3 ARG 46 HD1 ARG 46 -1.282 9.615 -2.295 303 HE ARG 46 HE ARG 46 -3.333 10.918 -3.708 304 HH11 ARG 46 1HH1 ARG 46 -0.608 11.474 -1.724 305 HH12 ARG 46 2HH1 ARG 46 -0.857 13.184 -1.606 306 HH21 ARG 46 1HH2 ARG 46 -3.528 13.212 -3.821 307 HH22 ARG 46 2HH2 ARG 46 -2.512 14.169 -2.796 308 H ILE 47 H ILE 47 1.817 7.958 -5.756 309 HA ILE 47 HA ILE 47 -0.424 6.017 -5.437 310 HB ILE 47 HB ILE 47 2.018 5.933 -7.036 311 HG12 ILE 47 2HG1 ILE 47 -0.309 5.486 -7.813 312 HG13 ILE 47 1HG1 ILE 47 0.796 4.160 -8.176 313 HG21 ILE 47 1HG2 ILE 47 2.450 3.483 -6.524 314 HG22 ILE 47 2HG2 ILE 47 1.528 3.721 -5.038 315 HG23 ILE 47 3HG2 ILE 47 3.018 4.627 -5.307 316 HD11 ILE 47 3HD1 ILE 47 -0.717 2.825 -7.152 317 HD12 ILE 47 1HD1 ILE 47 -1.553 4.198 -6.423 318 HD13 ILE 47 2HD1 ILE 47 -0.123 3.521 -5.644 319 HA PRO 48 HA PRO 48 1.357 5.904 -1.328 320 HB2 PRO 48 HB2 PRO 48 -0.544 4.255 -0.246 321 HB3 PRO 48 HB1 PRO 48 -0.849 5.969 -0.575 322 HG2 PRO 48 HG2 PRO 48 -1.852 3.573 -2.040 323 HG3 PRO 48 HG1 PRO 48 -2.547 5.199 -1.948 324 HD2 PRO 48 HD2 PRO 48 -1.015 4.111 -4.100 325 HD3 PRO 48 HD1 PRO 48 -1.554 5.788 -3.923 326 H ARG 49 H ARG 49 -0.236 2.816 -1.395 327 HA ARG 49 HA ARG 49 2.379 1.410 -1.683 328 HB2 ARG 49 HB2 ARG 49 1.455 -0.336 -0.196 329 HB3 ARG 49 HB1 ARG 49 1.452 1.221 0.627 330 HG2 ARG 49 HG2 ARG 49 -0.987 0.532 -0.938 331 HG3 ARG 49 HG1 ARG 49 -0.718 -0.382 0.544 332 HD2 ARG 49 HD2 ARG 49 -1.164 2.573 0.202 333 HD3 ARG 49 HD1 ARG 49 -1.965 1.453 1.299 334 HE ARG 49 HE ARG 49 0.478 2.900 1.853 335 HH11 ARG 49 1HH2 ARG 49 -1.851 1.070 3.278 336 HH12 ARG 49 2HH2 ARG 49 -0.811 0.218 4.369 337 HH21 ARG 49 1HH1 ARG 49 2.113 1.323 2.864 338 HH22 ARG 49 2HH1 ARG 49 1.435 0.362 4.136 339 H LEU 50 H LEU 50 0.532 -1.124 -1.716 340 HA LEU 50 HA LEU 50 -0.694 -0.501 -4.346 341 HB2 LEU 50 HB2 LEU 50 1.378 -2.512 -3.788 342 HB3 LEU 50 HB1 LEU 50 -0.003 -3.117 -4.710 343 HG LEU 50 HG LEU 50 1.576 -2.247 -6.309 344 HD11 LEU 50 1HD1 LEU 50 -0.988 -1.451 -6.292 345 HD12 LEU 50 2HD1 LEU 50 0.152 -0.862 -7.504 346 HD13 LEU 50 3HD1 LEU 50 -0.227 0.128 -6.095 347 HD21 LEU 50 3HD2 LEU 50 2.242 -0.533 -4.196 348 HD22 LEU 50 1HD2 LEU 50 1.614 0.521 -5.461 349 HD23 LEU 50 2HD2 LEU 50 2.968 -0.555 -5.803 350 H ASP 51 H ASP 51 -2.317 -2.026 -5.028 351 HA ASP 51 HA ASP 51 -4.089 -3.527 -4.640 352 HB2 ASP 51 HB2 ASP 51 -2.614 -4.498 -2.745 353 HB3 ASP 51 HB1 ASP 51 -3.521 -3.427 -1.678 354 H MET 52 H MET 52 -3.414 -0.512 -3.374 355 HA MET 52 HA MET 52 -6.221 -0.030 -2.493 356 HB2 MET 52 HB2 MET 52 -3.581 1.044 -1.773 357 HB3 MET 52 HB1 MET 52 -4.781 2.301 -2.051 358 HG2 MET 52 HG2 MET 52 -6.330 0.858 -0.546 359 HG3 MET 52 HG1 MET 52 -4.845 0.048 -0.049 360 HE1 MET 52 HE1 MET 52 -5.127 2.074 3.069 361 HE2 MET 52 HE2 MET 52 -4.283 0.704 2.352 362 HE3 MET 52 HE3 MET 52 -6.033 0.834 2.190 363 HA PRO 53 HA PRO 53 -7.018 2.440 -6.040 364 HB2 PRO 53 HB2 PRO 53 -8.145 4.731 -5.022 365 HB3 PRO 53 HB1 PRO 53 -8.984 3.170 -5.081 366 HG2 PRO 53 HG2 PRO 53 -7.730 4.548 -2.751 367 HG3 PRO 53 HG1 PRO 53 -9.122 3.450 -2.783 368 HD2 PRO 53 HD2 PRO 53 -6.527 2.744 -1.989 369 HD3 PRO 53 HD1 PRO 53 -7.790 1.594 -2.471 370 H ASP 54 H ASP 54 -5.613 3.555 -7.300 371 HA ASP 54 HA ASP 54 -3.541 5.236 -6.042 372 HB2 ASP 54 HB2 ASP 54 -3.809 4.742 -9.003 373 HB3 ASP 54 HB1 ASP 54 -2.347 5.027 -8.058 374 H ASP 55 H ASP 55 -3.079 7.401 -6.918 375 HA ASP 55 HA ASP 55 -5.598 8.827 -7.586 376 HB2 ASP 55 HB2 ASP 55 -2.966 9.613 -6.380 377 HB3 ASP 55 HB1 ASP 55 -3.925 10.845 -7.204 378 H ARG 56 H ARG 56 -5.942 9.445 -9.673 379 HA ARG 56 HA ARG 56 -3.540 9.690 -11.435 380 HB2 ARG 56 HB2 ARG 56 -6.295 8.662 -12.176 381 HB3 ARG 56 HB1 ARG 56 -4.947 8.869 -13.295 382 HG2 ARG 56 HG2 ARG 56 -3.601 7.312 -11.835 383 HG3 ARG 56 HG1 ARG 56 -5.076 6.994 -10.919 384 HD2 ARG 56 HD2 ARG 56 -5.332 6.746 -13.858 385 HD3 ARG 56 HD1 ARG 56 -4.313 5.534 -13.082 386 HE ARG 56 HE ARG 56 -7.144 6.031 -12.249 387 HH11 ARG 56 1HH2 ARG 56 -6.476 3.846 -14.248 388 HH12 ARG 56 2HH2 ARG 56 -6.371 2.459 -13.216 389 HH21 ARG 56 1HH1 ARG 56 -6.118 4.322 -10.302 390 HH22 ARG 56 2HH1 ARG 56 -6.167 2.728 -10.980 391 H CYS 57 H CYS 57 -3.661 11.327 -13.075 392 HA CYS 57 HA CYS 57 -5.050 13.723 -12.264 393 HB2 CYS 57 HB2 CYS 57 -3.803 13.201 -14.971 394 HB3 CYS 57 HB1 CYS 57 -4.022 14.754 -14.167 395 H THR 58 H THR 58 -6.787 14.785 -13.358 396 HA THR 58 HA THR 58 -8.701 12.928 -14.582 397 HB THR 58 HB THR 58 -10.306 14.676 -14.334 398 HG1 THR 58 HG1 THR 58 -9.429 16.479 -15.070 399 HG21 THR 58 3HG2 THR 58 -8.574 13.921 -12.192 400 HG22 THR 58 1HG2 THR 58 -10.277 14.375 -12.110 401 HG23 THR 58 2HG2 THR 58 -9.026 15.610 -11.961 402 H GLY 59 H GLY 59 -6.144 14.528 -15.849 403 HA2 GLY 59 HA1 GLY 59 -5.728 14.558 -18.237 404 HA3 GLY 59 HA2 GLY 59 -7.467 14.653 -18.506 405 H GLN 60 H GLN 60 -7.875 16.774 -16.521 406 HA GLN 60 HA GLN 60 -6.614 19.026 -18.034 407 HB2 GLN 60 HB2 GLN 60 -9.225 19.141 -16.508 408 HB3 GLN 60 HB1 GLN 60 -8.603 20.310 -17.673 409 HG2 GLN 60 HG2 GLN 60 -8.603 17.940 -19.108 410 HG3 GLN 60 HG1 GLN 60 -10.075 17.824 -18.143 411 HE21 GLN 60 1HE2 GLN 60 -8.477 20.720 -19.572 412 HE22 GLN 60 2HE2 GLN 60 -9.829 21.204 -20.474 413 H SER 61 H SER 61 -6.462 17.426 -15.142 414 HA SER 61 HA SER 61 -6.124 19.871 -13.495 415 HB2 SER 61 HB2 SER 61 -6.527 18.538 -11.695 416 HB3 SER 61 HB1 SER 61 -7.127 17.390 -12.889 417 HG SER 61 HG SER 61 -5.087 16.441 -12.931 418 H ALA 62 H ALA 62 -4.145 20.832 -13.643 419 HA ALA 62 HA ALA 62 -1.790 19.484 -14.607 420 HB1 ALA 62 HB1 ALA 62 -2.054 21.933 -14.775 421 HB2 ALA 62 HB2 ALA 62 -0.595 21.529 -13.870 422 HB3 ALA 62 HB3 ALA 62 -2.044 22.060 -13.017 423 H ASP 63 H ASP 63 -2.822 20.509 -11.348 424 HA ASP 63 HA ASP 63 -0.583 19.049 -10.121 425 HB2 ASP 63 HB2 ASP 63 -2.885 20.052 -8.497 426 HB3 ASP 63 HB1 ASP 63 -1.156 20.120 -8.151 427 H CYS 64 H CYS 64 -1.733 17.820 -7.935 428 HA CYS 64 HA CYS 64 -3.728 15.945 -9.123 429 HB2 CYS 64 HB2 CYS 64 -1.578 14.832 -9.229 430 HB3 CYS 64 HB1 CYS 64 -1.247 15.211 -7.541 431 HA PRO 65 HA PRO 65 -5.566 17.265 -5.271 432 HB2 PRO 65 HB2 PRO 65 -8.092 16.682 -6.139 433 HB3 PRO 65 HB1 PRO 65 -7.279 18.204 -6.504 434 HG2 PRO 65 HG2 PRO 65 -7.823 15.861 -8.260 435 HG3 PRO 65 HG1 PRO 65 -7.601 17.564 -8.698 436 HD2 PRO 65 HD2 PRO 65 -5.670 15.527 -8.967 437 HD3 PRO 65 HD1 PRO 65 -5.361 17.274 -9.057 438 H ARG 66 H ARG 66 -7.903 15.869 -4.495 439 HA ARG 66 HA ARG 66 -6.763 13.181 -3.929 440 HB2 ARG 66 HB2 ARG 66 -7.873 15.021 -2.231 441 HB3 ARG 66 HB1 ARG 66 -9.266 13.997 -2.581 442 HG2 ARG 66 HG2 ARG 66 -8.402 12.223 -1.452 443 HG3 ARG 66 HG1 ARG 66 -6.772 12.513 -2.061 444 HD2 ARG 66 HD2 ARG 66 -7.002 12.843 0.425 445 HD3 ARG 66 HD1 ARG 66 -6.405 14.265 -0.433 446 HE ARG 66 HE ARG 66 -9.217 13.960 0.540 447 HH11 ARG 66 1HH1 ARG 66 -7.075 15.717 1.867 448 HH12 ARG 66 2HH1 ARG 66 -7.512 17.277 1.256 449 HH21 ARG 66 1HH2 ARG 66 -9.547 16.020 -1.253 450 HH22 ARG 66 2HH2 ARG 66 -8.914 17.449 -0.507 451 H TYR 67 H TYR 67 -8.400 11.368 -3.903 452 HA TYR 67 HA TYR 67 -9.780 11.242 -6.432 453 HB2 TYR 67 HB2 TYR 67 -8.833 9.378 -4.666 454 HB3 TYR 67 HB1 TYR 67 -10.567 9.292 -4.355 455 HD1 TYR 67 HD2 TYR 67 -8.039 9.232 -7.106 456 HD2 TYR 67 HD1 TYR 67 -12.008 8.164 -5.853 457 HE1 TYR 67 HE2 TYR 67 -8.348 7.926 -9.192 458 HE2 TYR 67 HE1 TYR 67 -12.315 6.858 -7.939 459 HH TYR 67 HH TYR 67 -11.464 6.518 -10.036 460 H HIS 68 H HIS 68 -10.985 11.301 -3.055 461 HA HIS 68 HA HIS 68 -13.695 11.926 -4.105 462 HB2 HIS 68 HB2 HIS 68 -12.709 10.447 -1.871 463 HB3 HIS 68 HB1 HIS 68 -13.633 11.816 -1.249 464 HD1 HIS 68 HD1 HIS 68 -15.968 11.054 -0.835 465 HD2 HIS 68 HD2 HIS 68 -14.432 9.426 -4.352 466 HE1 HIS 68 HE1 HIS 68 -17.843 9.713 -1.883 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -5.518 31.718 -6.795 2 H2 GLY 1 HT2 GLY 1 -4.241 32.763 -7.198 3 H3 GLY 1 HT3 GLY 1 -4.505 31.352 -8.104 4 HA2 GLY 1 HA1 GLY 1 -5.992 32.327 -9.411 5 HA3 GLY 1 HA2 GLY 1 -6.832 33.004 -8.016 6 H LYS 2 H LYS 2 -3.461 33.469 -9.098 7 HA LYS 2 HA LYS 2 -4.097 36.367 -9.469 8 HB2 LYS 2 HB2 LYS 2 -2.436 35.215 -7.471 9 HB3 LYS 2 HB1 LYS 2 -1.371 36.010 -8.629 10 HG2 LYS 2 HG2 LYS 2 -2.078 38.081 -8.034 11 HG3 LYS 2 HG1 LYS 2 -3.768 37.578 -7.969 12 HD2 LYS 2 HD2 LYS 2 -3.421 37.946 -5.719 13 HD3 LYS 2 HD1 LYS 2 -2.892 36.266 -5.807 14 HE2 LYS 2 HE2 LYS 2 -0.727 36.806 -5.404 15 HE3 LYS 2 HE1 LYS 2 -0.782 38.199 -6.483 16 HZ1 LYS 2 HZ1 LYS 2 -2.140 38.241 -3.862 17 HZ2 LYS 2 HZ2 LYS 2 -1.647 39.550 -4.826 18 HZ3 LYS 2 HZ3 LYS 2 -0.493 38.620 -3.997 19 H GLU 3 H GLU 3 -1.412 37.044 -10.220 20 HA GLU 3 HA GLU 3 -1.431 35.941 -12.958 21 HB2 GLU 3 HB2 GLU 3 0.206 38.138 -11.659 22 HB3 GLU 3 HB1 GLU 3 0.339 37.673 -13.356 23 HG2 GLU 3 HG2 GLU 3 -2.152 38.713 -11.972 24 HG3 GLU 3 HG1 GLU 3 -1.173 39.583 -13.154 25 H CYS 4 H CYS 4 -0.074 35.019 -10.072 26 HA CYS 4 HA CYS 4 2.533 34.221 -11.205 27 HB2 CYS 4 HB2 CYS 4 1.327 33.724 -8.466 28 HB3 CYS 4 HB1 CYS 4 2.977 33.325 -8.940 29 H ASP 5 H ASP 5 2.762 32.309 -12.241 30 HA ASP 5 HA ASP 5 0.661 30.233 -11.825 31 HB2 ASP 5 HB2 ASP 5 1.474 31.294 -14.162 32 HB3 ASP 5 HB1 ASP 5 2.653 29.988 -14.027 33 H CYS 6 H CYS 6 3.906 30.966 -11.092 34 HA CYS 6 HA CYS 6 4.369 28.104 -10.363 35 HB2 CYS 6 HB2 CYS 6 6.673 28.267 -11.021 36 HB3 CYS 6 HB1 CYS 6 5.722 28.887 -12.370 37 H SER 7 H SER 7 6.272 28.033 -8.679 38 HA SER 7 HA SER 7 6.050 30.381 -6.844 39 HB2 SER 7 HB2 SER 7 5.930 27.451 -6.071 40 HB3 SER 7 HB1 SER 7 5.984 28.798 -4.936 41 HG SER 7 HG SER 7 4.051 28.837 -6.953 42 H SER 8 H SER 8 8.153 29.364 -8.788 43 HA SER 8 HA SER 8 10.369 29.164 -6.788 44 HB2 SER 8 HB2 SER 8 10.151 27.803 -9.487 45 HB3 SER 8 HB1 SER 8 11.610 27.822 -8.500 46 HG SER 8 HG SER 8 10.199 25.952 -8.235 47 HA PRO 9 HA PRO 9 11.873 32.749 -8.875 48 HB2 PRO 9 HB2 PRO 9 14.391 32.745 -7.776 49 HB3 PRO 9 HB1 PRO 9 12.941 33.261 -6.895 50 HG2 PRO 9 HG2 PRO 9 14.509 30.740 -6.617 51 HG3 PRO 9 HG1 PRO 9 13.493 31.567 -5.424 52 HD2 PRO 9 HD2 PRO 9 12.768 29.275 -6.931 53 HD3 PRO 9 HD1 PRO 9 11.669 30.289 -5.969 54 H GLU 10 H GLU 10 13.701 29.716 -8.945 55 HA GLU 10 HA GLU 10 15.468 30.564 -11.099 56 HB2 GLU 10 HB2 GLU 10 14.823 27.878 -9.866 57 HB3 GLU 10 HB1 GLU 10 15.945 28.053 -11.216 58 HG2 GLU 10 HG2 GLU 10 16.295 29.790 -8.793 59 HG3 GLU 10 HG1 GLU 10 16.851 28.116 -8.739 60 H ASN 11 H ASN 11 12.360 28.939 -10.864 61 HA ASN 11 HA ASN 11 12.079 27.735 -13.347 62 HB2 ASN 11 HB2 ASN 11 10.349 28.002 -11.457 63 HB3 ASN 11 HB1 ASN 11 9.920 29.525 -12.236 64 HD21 ASN 11 1HD2 ASN 11 8.160 27.183 -12.066 65 HD22 ASN 11 2HD2 ASN 11 7.866 26.671 -13.657 66 HA PRO 12 HA PRO 12 12.851 31.394 -15.869 67 HB2 PRO 12 HB2 PRO 12 13.377 29.957 -18.153 68 HB3 PRO 12 HB1 PRO 12 14.578 30.257 -16.884 69 HG2 PRO 12 HG2 PRO 12 13.091 27.746 -17.507 70 HG3 PRO 12 HG1 PRO 12 14.674 27.953 -16.740 71 HD2 PRO 12 HD2 PRO 12 12.247 27.383 -15.402 72 HD3 PRO 12 HD1 PRO 12 13.758 27.923 -14.639 73 H CYS 13 H CYS 13 10.775 28.628 -16.689 74 HA CYS 13 HA CYS 13 9.359 29.652 -18.882 75 HB2 CYS 13 HB2 CYS 13 9.091 27.454 -17.239 76 HB3 CYS 13 HB1 CYS 13 7.626 28.369 -16.881 77 H CYS 14 H CYS 14 8.305 29.939 -15.467 78 HA CYS 14 HA CYS 14 6.425 32.060 -16.170 79 HB2 CYS 14 HB2 CYS 14 5.986 32.127 -13.731 80 HB3 CYS 14 HB1 CYS 14 5.898 30.483 -14.365 81 H ASP 15 H ASP 15 7.226 34.063 -16.630 82 HA ASP 15 HA ASP 15 9.762 35.072 -15.964 83 HB2 ASP 15 HB2 ASP 15 7.198 36.209 -16.852 84 HB3 ASP 15 HB1 ASP 15 8.175 37.333 -15.907 85 H ALA 16 H ALA 16 10.620 36.003 -14.118 86 HA ALA 16 HA ALA 16 9.336 35.517 -11.598 87 HB1 ALA 16 HB1 ALA 16 11.415 35.908 -10.829 88 HB2 ALA 16 HB2 ALA 16 11.359 37.572 -11.408 89 HB3 ALA 16 HB3 ALA 16 11.905 36.283 -12.481 90 H ALA 17 H ALA 17 9.797 38.494 -13.511 91 HA ALA 17 HA ALA 17 8.727 40.350 -11.686 92 HB1 ALA 17 HB1 ALA 17 9.561 41.373 -13.596 93 HB2 ALA 17 HB2 ALA 17 7.831 41.443 -13.931 94 HB3 ALA 17 HB3 ALA 17 8.823 40.190 -14.677 95 H THR 18 H THR 18 6.912 38.671 -14.285 96 HA THR 18 HA THR 18 4.397 39.309 -12.846 97 HB THR 18 HB THR 18 4.628 39.695 -15.336 98 HG1 THR 18 HG1 THR 18 2.579 39.521 -14.635 99 HG21 THR 18 3HG2 THR 18 4.341 36.711 -15.607 100 HG22 THR 18 1HG2 THR 18 5.937 37.459 -15.557 101 HG23 THR 18 2HG2 THR 18 4.798 37.893 -16.834 102 H CYS 19 H CYS 19 6.591 37.040 -12.415 103 HA CYS 19 HA CYS 19 6.590 34.723 -11.943 104 HB2 CYS 19 HB2 CYS 19 4.731 34.178 -10.259 105 HB3 CYS 19 HB1 CYS 19 5.827 35.486 -9.830 106 H LYS 20 H LYS 20 5.212 35.422 -14.459 107 HA LYS 20 HA LYS 20 3.382 33.055 -14.554 108 HB2 LYS 20 HB2 LYS 20 2.655 35.748 -14.950 109 HB3 LYS 20 HB1 LYS 20 2.712 35.029 -16.561 110 HG2 LYS 20 HG2 LYS 20 1.342 33.601 -14.288 111 HG3 LYS 20 HG1 LYS 20 0.495 34.845 -15.210 112 HD2 LYS 20 HD2 LYS 20 1.788 33.181 -17.105 113 HD3 LYS 20 HD1 LYS 20 1.011 32.107 -15.941 114 HE2 LYS 20 HE2 LYS 20 -0.460 34.465 -17.113 115 HE3 LYS 20 HE1 LYS 20 -0.406 32.914 -17.949 116 HZ1 LYS 20 HZ1 LYS 20 -2.185 33.593 -16.030 117 HZ2 LYS 20 HZ2 LYS 20 -1.040 32.696 -15.153 118 HZ3 LYS 20 HZ3 LYS 20 -1.814 32.007 -16.499 119 H LEU 21 H LEU 21 3.322 31.980 -16.647 120 HA LEU 21 HA LEU 21 5.908 31.812 -17.906 121 HB2 LEU 21 HB2 LEU 21 3.443 30.794 -19.266 122 HB3 LEU 21 HB1 LEU 21 5.031 30.047 -19.130 123 HG LEU 21 HG LEU 21 4.132 30.300 -16.486 124 HD11 LEU 21 1HD1 LEU 21 1.928 29.339 -16.451 125 HD12 LEU 21 2HD1 LEU 21 1.947 29.083 -18.195 126 HD13 LEU 21 3HD1 LEU 21 1.859 30.720 -17.547 127 HD21 LEU 21 3HD2 LEU 21 3.634 27.721 -17.842 128 HD22 LEU 21 1HD2 LEU 21 4.673 28.086 -16.464 129 HD23 LEU 21 2HD2 LEU 21 5.243 28.394 -18.103 130 H ARG 22 H ARG 22 6.714 33.181 -19.386 131 HA ARG 22 HA ARG 22 4.998 35.159 -20.678 132 HB2 ARG 22 HB2 ARG 22 7.478 35.406 -19.861 133 HB3 ARG 22 HB1 ARG 22 7.868 34.713 -21.434 134 HG2 ARG 22 HG2 ARG 22 6.142 36.525 -22.299 135 HG3 ARG 22 HG1 ARG 22 6.576 37.333 -20.792 136 HD2 ARG 22 HD2 ARG 22 8.899 37.385 -21.388 137 HD3 ARG 22 HD1 ARG 22 8.633 36.309 -22.760 138 HE ARG 22 HE ARG 22 8.249 38.289 -23.965 139 HH11 ARG 22 1HH1 ARG 22 8.882 40.198 -21.801 140 HH12 ARG 22 2HH1 ARG 22 7.382 41.031 -21.569 141 HH21 ARG 22 1HH2 ARG 22 5.492 38.644 -23.225 142 HH22 ARG 22 2HH2 ARG 22 5.463 40.153 -22.375 143 HA PRO 23 HA PRO 23 6.251 32.663 -24.560 144 HB2 PRO 23 HB2 PRO 23 7.333 30.166 -24.161 145 HB3 PRO 23 HB1 PRO 23 8.299 31.642 -24.327 146 HG2 PRO 23 HG2 PRO 23 7.694 30.062 -21.874 147 HG3 PRO 23 HG1 PRO 23 9.078 31.112 -22.219 148 HD2 PRO 23 HD2 PRO 23 6.844 31.779 -20.621 149 HD3 PRO 23 HD1 PRO 23 8.065 32.912 -21.231 150 H GLY 24 H GLY 24 5.361 30.534 -25.616 151 HA2 GLY 24 HA2 GLY 24 2.678 30.130 -24.718 152 HA3 GLY 24 HA1 GLY 24 3.493 29.155 -25.939 153 H ALA 25 H ALA 25 3.356 29.613 -22.398 154 HA ALA 25 HA ALA 25 3.872 26.676 -22.134 155 HB1 ALA 25 HB1 ALA 25 4.948 29.029 -20.688 156 HB2 ALA 25 HB2 ALA 25 5.673 27.443 -20.952 157 HB3 ALA 25 HB3 ALA 25 4.480 27.666 -19.671 158 H GLN 26 H GLN 26 2.608 25.574 -20.520 159 HA GLN 26 HA GLN 26 0.020 26.923 -19.984 160 HB2 GLN 26 HB2 GLN 26 0.806 24.246 -20.612 161 HB3 GLN 26 HB1 GLN 26 0.056 24.232 -19.015 162 HG2 GLN 26 HG2 GLN 26 -1.657 23.938 -20.749 163 HG3 GLN 26 HG1 GLN 26 -1.880 25.486 -19.933 164 HE21 GLN 26 1HE2 GLN 26 0.140 24.303 -22.694 165 HE22 GLN 26 2HE2 GLN 26 -0.248 25.601 -23.717 166 H CYS 27 H CYS 27 2.469 25.012 -18.199 167 HA CYS 27 HA CYS 27 1.894 26.683 -15.818 168 HB2 CYS 27 HB2 CYS 27 2.043 24.380 -14.512 169 HB3 CYS 27 HB1 CYS 27 0.505 24.946 -15.160 170 H GLY 28 H GLY 28 3.717 27.035 -14.577 171 HA2 GLY 28 HA2 GLY 28 6.259 26.009 -15.670 172 HA3 GLY 28 HA1 GLY 28 6.093 27.283 -14.461 173 H GLU 29 H GLU 29 4.123 25.466 -12.992 174 HA GLU 29 HA GLU 29 5.992 23.381 -11.991 175 HB2 GLU 29 HB2 GLU 29 6.118 25.591 -10.640 176 HB3 GLU 29 HB1 GLU 29 4.511 25.160 -10.056 177 HG2 GLU 29 HG2 GLU 29 5.678 22.812 -9.615 178 HG3 GLU 29 HG1 GLU 29 7.133 23.808 -9.559 179 H GLY 30 H GLY 30 4.895 21.635 -10.930 180 HA2 GLY 30 HA2 GLY 30 2.363 21.298 -10.031 181 HA3 GLY 30 HA1 GLY 30 2.087 21.356 -11.773 182 H LEU 31 H LEU 31 1.990 19.111 -9.649 183 HA LEU 31 HA LEU 31 4.072 17.246 -10.177 184 HB2 LEU 31 HB2 LEU 31 2.495 16.938 -8.325 185 HB3 LEU 31 HB1 LEU 31 1.167 16.740 -9.467 186 HG LEU 31 HG LEU 31 2.026 14.682 -10.277 187 HD11 LEU 31 1HD1 LEU 31 4.562 15.336 -8.741 188 HD12 LEU 31 2HD1 LEU 31 4.380 15.356 -10.495 189 HD13 LEU 31 3HD1 LEU 31 4.268 13.833 -9.615 190 HD21 LEU 31 3HD2 LEU 31 2.768 14.575 -7.351 191 HD22 LEU 31 1HD2 LEU 31 2.023 13.318 -8.336 192 HD23 LEU 31 2HD2 LEU 31 1.092 14.744 -7.874 193 H CYS 32 H CYS 32 1.325 18.219 -12.081 194 HA CYS 32 HA CYS 32 1.968 16.034 -14.024 195 HB2 CYS 32 HB2 CYS 32 -0.643 17.528 -14.040 196 HB3 CYS 32 HB1 CYS 32 -0.286 15.911 -14.647 197 H CYS 33 H CYS 33 3.506 18.377 -14.024 198 HA CYS 33 HA CYS 33 2.602 19.596 -16.591 199 HB2 CYS 33 HB2 CYS 33 2.165 21.117 -14.600 200 HB3 CYS 33 HB1 CYS 33 3.911 21.187 -14.371 201 H GLU 34 H GLU 34 4.123 18.870 -18.002 202 HA GLU 34 HA GLU 34 6.991 19.092 -17.177 203 HB2 GLU 34 HB2 GLU 34 5.622 17.011 -18.901 204 HB3 GLU 34 HB1 GLU 34 7.372 17.220 -18.860 205 HG2 GLU 34 HG2 GLU 34 7.499 16.633 -16.562 206 HG3 GLU 34 HG1 GLU 34 5.759 16.822 -16.338 207 H GLN 35 H GLN 35 8.381 20.045 -18.718 208 HA GLN 35 HA GLN 35 8.936 21.401 -20.556 209 HB2 GLN 35 HB2 GLN 35 6.933 19.469 -21.608 210 HB3 GLN 35 HB1 GLN 35 7.208 20.915 -22.579 211 HG2 GLN 35 HG2 GLN 35 9.762 20.021 -21.755 212 HG3 GLN 35 HG1 GLN 35 8.888 18.589 -22.300 213 HE21 GLN 35 1HE2 GLN 35 11.124 20.049 -23.693 214 HE22 GLN 35 2HE2 GLN 35 10.496 20.492 -25.205 215 H CYS 36 H CYS 36 6.978 22.269 -18.519 216 HA CYS 36 HA CYS 36 5.597 24.122 -18.147 217 HB2 CYS 36 HB2 CYS 36 6.535 24.800 -20.951 218 HB3 CYS 36 HB1 CYS 36 5.565 25.880 -19.946 219 H LYS 37 H LYS 37 4.622 21.583 -19.377 220 HA LYS 37 HA LYS 37 2.018 22.657 -20.339 221 HB2 LYS 37 HB2 LYS 37 3.005 20.175 -21.664 222 HB3 LYS 37 HB1 LYS 37 1.997 21.470 -22.312 223 HG2 LYS 37 HG2 LYS 37 4.086 22.945 -22.228 224 HG3 LYS 37 HG1 LYS 37 4.997 21.462 -21.941 225 HD2 LYS 37 HD2 LYS 37 4.852 20.842 -24.107 226 HD3 LYS 37 HD1 LYS 37 3.122 21.179 -24.159 227 HE2 LYS 37 HE2 LYS 37 3.769 22.858 -25.569 228 HE3 LYS 37 HE1 LYS 37 4.094 23.711 -24.060 229 HZ1 LYS 37 HZ1 LYS 37 6.265 22.025 -24.780 230 HZ2 LYS 37 HZ2 LYS 37 6.255 23.697 -24.478 231 HZ3 LYS 37 HZ3 LYS 37 5.907 23.108 -26.034 232 H PHE 38 H PHE 38 0.266 21.019 -20.089 233 HA PHE 38 HA PHE 38 0.513 19.610 -17.581 234 HB2 PHE 38 HB2 PHE 38 -1.638 19.196 -19.670 235 HB3 PHE 38 HB1 PHE 38 -1.760 18.924 -17.933 236 HD1 PHE 38 HD1 PHE 38 -0.467 21.304 -16.809 237 HD2 PHE 38 HD2 PHE 38 -3.132 20.946 -20.158 238 HE1 PHE 38 HE1 PHE 38 -1.184 23.657 -16.489 239 HE2 PHE 38 HE2 PHE 38 -3.849 23.300 -19.838 240 HZ PHE 38 HZ PHE 38 -2.874 24.655 -18.004 241 H SER 39 H SER 39 0.755 17.392 -17.208 242 HA SER 39 HA SER 39 2.276 15.880 -19.074 243 HB2 SER 39 HB2 SER 39 0.662 15.029 -16.659 244 HB3 SER 39 HB1 SER 39 1.686 13.924 -17.570 245 HG SER 39 HG SER 39 3.446 15.277 -17.107 246 H ARG 40 H ARG 40 -0.297 13.866 -18.067 247 HA ARG 40 HA ARG 40 -1.726 14.194 -20.651 248 HB2 ARG 40 HB2 ARG 40 -0.066 11.889 -19.811 249 HB3 ARG 40 HB1 ARG 40 -1.655 11.478 -20.460 250 HG2 ARG 40 HG2 ARG 40 -1.215 12.673 -22.504 251 HG3 ARG 40 HG1 ARG 40 0.270 13.361 -21.845 252 HD2 ARG 40 HD2 ARG 40 1.383 11.265 -21.872 253 HD3 ARG 40 HD1 ARG 40 -0.125 10.377 -22.084 254 HE ARG 40 HE ARG 40 -0.158 11.705 -24.374 255 HH11 ARG 40 1HH1 ARG 40 1.659 9.160 -23.510 256 HH12 ARG 40 2HH1 ARG 40 3.005 9.471 -24.554 257 HH21 ARG 40 1HH2 ARG 40 1.971 12.678 -25.372 258 HH22 ARG 40 2HH2 ARG 40 3.182 11.463 -25.609 259 H ALA 41 H ALA 41 -3.832 13.038 -20.632 260 HA ALA 41 HA ALA 41 -5.241 13.432 -18.163 261 HB1 ALA 41 HB1 ALA 41 -7.162 12.570 -19.313 262 HB2 ALA 41 HB2 ALA 41 -6.157 11.702 -20.474 263 HB3 ALA 41 HB3 ALA 41 -6.230 13.464 -20.514 264 H GLY 42 H GLY 42 -5.057 12.130 -16.408 265 HA2 GLY 42 HA2 GLY 42 -5.397 10.004 -15.307 266 HA3 GLY 42 HA1 GLY 42 -5.025 9.189 -16.825 267 H LYS 43 H LYS 43 -3.094 11.824 -15.509 268 HA LYS 43 HA LYS 43 -0.721 10.088 -15.554 269 HB2 LYS 43 HB2 LYS 43 -0.350 12.293 -16.380 270 HB3 LYS 43 HB1 LYS 43 -1.163 13.027 -14.999 271 HG2 LYS 43 HG2 LYS 43 1.262 13.251 -14.743 272 HG3 LYS 43 HG1 LYS 43 0.632 12.156 -13.512 273 HD2 LYS 43 HD2 LYS 43 1.462 10.244 -14.609 274 HD3 LYS 43 HD1 LYS 43 1.640 11.093 -16.146 275 HE2 LYS 43 HE2 LYS 43 3.478 12.420 -15.248 276 HE3 LYS 43 HE1 LYS 43 3.260 11.696 -13.654 277 HZ1 LYS 43 HZ1 LYS 43 3.705 9.951 -15.973 278 HZ2 LYS 43 HZ2 LYS 43 4.100 9.697 -14.341 279 HZ3 LYS 43 HZ3 LYS 43 5.030 10.757 -15.288 280 H ILE 44 H ILE 44 -0.119 8.926 -13.791 281 HA ILE 44 HA ILE 44 -1.454 9.048 -11.288 282 HB ILE 44 HB ILE 44 1.300 7.988 -11.964 283 HG12 ILE 44 2HG1 ILE 44 -0.476 6.896 -13.230 284 HG13 ILE 44 1HG1 ILE 44 0.079 5.800 -11.962 285 HG21 ILE 44 1HG2 ILE 44 -0.370 7.069 -9.641 286 HG22 ILE 44 2HG2 ILE 44 0.634 8.508 -9.469 287 HG23 ILE 44 3HG2 ILE 44 1.375 6.959 -9.867 288 HD11 ILE 44 3HD1 ILE 44 -1.844 7.005 -10.570 289 HD12 ILE 44 1HD1 ILE 44 -2.205 5.646 -11.633 290 HD13 ILE 44 2HD1 ILE 44 -2.502 7.296 -12.181 291 H CYS 45 H CYS 45 -1.365 10.619 -9.794 292 HA CYS 45 HA CYS 45 1.130 12.260 -9.586 293 HB2 CYS 45 HB2 CYS 45 -0.477 13.905 -8.414 294 HB3 CYS 45 HB1 CYS 45 -0.639 13.731 -10.161 295 H ARG 46 H ARG 46 -0.834 9.965 -8.010 296 HA ARG 46 HA ARG 46 0.861 10.055 -5.637 297 HB2 ARG 46 HB2 ARG 46 -1.726 11.386 -5.646 298 HB3 ARG 46 HB1 ARG 46 -1.686 10.080 -4.461 299 HG2 ARG 46 HG2 ARG 46 -0.067 11.095 -3.189 300 HG3 ARG 46 HG1 ARG 46 0.707 11.846 -4.585 301 HD2 ARG 46 HD2 ARG 46 -1.916 12.942 -4.363 302 HD3 ARG 46 HD1 ARG 46 -1.173 13.007 -2.763 303 HE ARG 46 HE ARG 46 -0.213 14.422 -5.176 304 HH11 ARG 46 1HH2 ARG 46 -0.615 14.636 -1.898 305 HH12 ARG 46 2HH2 ARG 46 0.941 15.312 -1.550 306 HH21 ARG 46 1HH1 ARG 46 2.180 14.777 -4.744 307 HH22 ARG 46 2HH1 ARG 46 2.525 15.389 -3.162 308 H ILE 47 H ILE 47 1.323 7.903 -5.654 309 HA ILE 47 HA ILE 47 -0.998 6.026 -5.737 310 HB ILE 47 HB ILE 47 0.788 6.209 -7.754 311 HG12 ILE 47 2HG1 ILE 47 -0.010 3.446 -6.914 312 HG13 ILE 47 1HG1 ILE 47 -1.270 4.632 -7.260 313 HG21 ILE 47 1HG2 ILE 47 1.938 4.034 -5.979 314 HG22 ILE 47 2HG2 ILE 47 2.675 5.625 -6.168 315 HG23 ILE 47 3HG2 ILE 47 2.534 4.549 -7.557 316 HD11 ILE 47 3HD1 ILE 47 0.022 5.096 -9.438 317 HD12 ILE 47 1HD1 ILE 47 -0.866 3.576 -9.340 318 HD13 ILE 47 2HD1 ILE 47 0.881 3.593 -9.100 319 HA PRO 48 HA PRO 48 0.851 4.651 -1.945 320 HB2 PRO 48 HB2 PRO 48 -0.830 2.506 -1.555 321 HB3 PRO 48 HB1 PRO 48 -1.288 4.180 -1.198 322 HG2 PRO 48 HG2 PRO 48 -2.134 2.449 -3.474 323 HG3 PRO 48 HG1 PRO 48 -2.976 3.820 -2.733 324 HD2 PRO 48 HD2 PRO 48 -1.536 3.886 -5.167 325 HD3 PRO 48 HD1 PRO 48 -2.097 5.297 -4.247 326 H ARG 49 H ARG 49 1.148 1.989 -1.250 327 HA ARG 49 HA ARG 49 2.564 0.796 -3.595 328 HB2 ARG 49 HB2 ARG 49 3.918 1.868 -1.550 329 HB3 ARG 49 HB1 ARG 49 3.589 0.290 -0.833 330 HG2 ARG 49 HG2 ARG 49 5.596 -0.122 -1.948 331 HG3 ARG 49 HG1 ARG 49 4.414 -0.621 -3.158 332 HD2 ARG 49 HD2 ARG 49 5.590 0.789 -4.514 333 HD3 ARG 49 HD1 ARG 49 4.609 2.029 -3.734 334 HE ARG 49 HE ARG 49 6.527 2.722 -2.510 335 HH11 ARG 49 1HH1 ARG 49 7.852 1.684 -5.115 336 HH12 ARG 49 2HH1 ARG 49 9.190 0.809 -4.450 337 HH21 ARG 49 1HH2 ARG 49 7.903 0.760 -1.231 338 HH22 ARG 49 2HH2 ARG 49 9.220 0.286 -2.253 339 H LEU 50 H LEU 50 -0.050 0.396 -1.779 340 HA LEU 50 HA LEU 50 0.263 -2.573 -1.734 341 HB2 LEU 50 HB2 LEU 50 -1.453 -2.490 0.188 342 HB3 LEU 50 HB1 LEU 50 0.203 -2.030 0.563 343 HG LEU 50 HG LEU 50 -1.578 -0.495 1.505 344 HD11 LEU 50 1HD1 LEU 50 0.113 0.974 1.555 345 HD12 LEU 50 2HD1 LEU 50 -0.230 1.439 -0.111 346 HD13 LEU 50 3HD1 LEU 50 0.891 0.119 0.223 347 HD21 LEU 50 3HD2 LEU 50 -2.833 0.917 0.090 348 HD22 LEU 50 1HD2 LEU 50 -2.939 -0.662 -0.689 349 HD23 LEU 50 2HD2 LEU 50 -1.827 0.556 -1.313 350 H ASP 51 H ASP 51 -2.327 -3.321 -1.255 351 HA ASP 51 HA ASP 51 -3.558 -2.939 -3.816 352 HB2 ASP 51 HB2 ASP 51 -4.055 -4.480 -1.418 353 HB3 ASP 51 HB1 ASP 51 -5.559 -3.778 -2.016 354 H MET 52 H MET 52 -3.614 -0.552 -3.907 355 HA MET 52 HA MET 52 -6.132 0.473 -2.703 356 HB2 MET 52 HB2 MET 52 -3.420 1.366 -2.046 357 HB3 MET 52 HB1 MET 52 -4.450 2.679 -2.616 358 HG2 MET 52 HG2 MET 52 -6.189 1.449 -0.959 359 HG3 MET 52 HG1 MET 52 -4.677 1.029 -0.154 360 HE1 MET 52 HE1 MET 52 -4.384 1.903 1.612 361 HE2 MET 52 HE2 MET 52 -5.683 2.970 2.136 362 HE3 MET 52 HE3 MET 52 -4.037 3.588 2.023 363 HA PRO 53 HA PRO 53 -6.639 2.458 -6.583 364 HB2 PRO 53 HB2 PRO 53 -7.716 4.887 -5.867 365 HB3 PRO 53 HB1 PRO 53 -8.610 3.359 -5.797 366 HG2 PRO 53 HG2 PRO 53 -7.457 4.962 -3.561 367 HG3 PRO 53 HG1 PRO 53 -8.830 3.841 -3.548 368 HD2 PRO 53 HD2 PRO 53 -6.221 3.277 -2.605 369 HD3 PRO 53 HD1 PRO 53 -7.501 2.084 -2.908 370 H ASP 54 H ASP 54 -5.939 4.360 -7.942 371 HA ASP 54 HA ASP 54 -3.538 5.710 -6.768 372 HB2 ASP 54 HB2 ASP 54 -3.780 5.061 -9.698 373 HB3 ASP 54 HB1 ASP 54 -2.325 5.365 -8.748 374 H ASP 55 H ASP 55 -3.673 7.894 -6.816 375 HA ASP 55 HA ASP 55 -5.892 9.199 -8.210 376 HB2 ASP 55 HB2 ASP 55 -3.755 10.010 -6.290 377 HB3 ASP 55 HB1 ASP 55 -4.434 11.272 -7.319 378 H ARG 56 H ARG 56 -5.757 10.033 -10.260 379 HA ARG 56 HA ARG 56 -3.009 10.414 -11.383 380 HB2 ARG 56 HB2 ARG 56 -5.189 9.997 -13.323 381 HB3 ARG 56 HB1 ARG 56 -3.572 9.297 -13.280 382 HG2 ARG 56 HG2 ARG 56 -4.328 7.775 -11.445 383 HG3 ARG 56 HG1 ARG 56 -5.960 8.417 -11.630 384 HD2 ARG 56 HD2 ARG 56 -4.625 7.464 -14.111 385 HD3 ARG 56 HD1 ARG 56 -5.109 6.227 -12.951 386 HE ARG 56 HE ARG 56 -7.100 8.252 -13.858 387 HH11 ARG 56 1HH1 ARG 56 -5.882 5.276 -14.779 388 HH12 ARG 56 2HH1 ARG 56 -7.395 4.434 -14.722 389 HH21 ARG 56 1HH2 ARG 56 -9.102 7.061 -13.237 390 HH22 ARG 56 2HH2 ARG 56 -9.217 5.445 -13.848 391 H CYS 57 H CYS 57 -3.043 11.986 -13.299 392 HA CYS 57 HA CYS 57 -4.463 14.424 -12.431 393 HB2 CYS 57 HB2 CYS 57 -2.641 14.195 -14.830 394 HB3 CYS 57 HB1 CYS 57 -2.969 15.612 -13.830 395 H THR 58 H THR 58 -5.689 15.721 -14.009 396 HA THR 58 HA THR 58 -7.418 14.015 -15.654 397 HB THR 58 HB THR 58 -8.860 15.874 -15.788 398 HG1 THR 58 HG1 THR 58 -6.785 17.600 -14.970 399 HG21 THR 58 3HG2 THR 58 -7.372 16.487 -13.233 400 HG22 THR 58 1HG2 THR 58 -8.335 15.022 -13.422 401 HG23 THR 58 2HG2 THR 58 -9.104 16.604 -13.541 402 H GLY 59 H GLY 59 -4.468 15.412 -16.186 403 HA2 GLY 59 HA2 GLY 59 -3.335 15.341 -18.305 404 HA3 GLY 59 HA1 GLY 59 -4.902 15.340 -19.115 405 H GLN 60 H GLN 60 -5.960 17.590 -17.573 406 HA GLN 60 HA GLN 60 -4.453 19.756 -18.957 407 HB2 GLN 60 HB2 GLN 60 -6.489 21.050 -18.843 408 HB3 GLN 60 HB1 GLN 60 -6.915 19.442 -19.426 409 HG2 GLN 60 HG2 GLN 60 -8.371 19.258 -17.724 410 HG3 GLN 60 HG1 GLN 60 -7.010 19.305 -16.603 411 HE21 GLN 60 1HE2 GLN 60 -9.326 20.455 -15.665 412 HE22 GLN 60 2HE2 GLN 60 -9.213 22.149 -15.683 413 H SER 61 H SER 61 -5.383 18.586 -15.809 414 HA SER 61 HA SER 61 -4.837 21.098 -14.429 415 HB2 SER 61 HB2 SER 61 -6.308 19.704 -13.236 416 HB3 SER 61 HB1 SER 61 -5.355 18.259 -13.565 417 HG SER 61 HG SER 61 -5.191 19.987 -11.508 418 H ALA 62 H ALA 62 -2.867 21.809 -13.739 419 HA ALA 62 HA ALA 62 -0.467 20.380 -14.508 420 HB1 ALA 62 HB1 ALA 62 -0.886 22.961 -14.198 421 HB2 ALA 62 HB2 ALA 62 0.695 22.282 -13.810 422 HB3 ALA 62 HB3 ALA 62 -0.455 22.632 -12.520 423 H ASP 63 H ASP 63 -1.392 21.537 -11.247 424 HA ASP 63 HA ASP 63 0.193 19.368 -10.052 425 HB2 ASP 63 HB2 ASP 63 -0.443 20.423 -7.903 426 HB3 ASP 63 HB1 ASP 63 0.227 21.607 -9.025 427 H CYS 64 H CYS 64 -0.780 17.885 -8.457 428 HA CYS 64 HA CYS 64 -3.423 16.955 -9.400 429 HB2 CYS 64 HB2 CYS 64 -1.377 15.445 -9.025 430 HB3 CYS 64 HB1 CYS 64 -1.703 15.634 -7.302 431 HA PRO 65 HA PRO 65 -5.241 18.963 -5.895 432 HB2 PRO 65 HB2 PRO 65 -7.798 18.481 -6.745 433 HB3 PRO 65 HB1 PRO 65 -6.816 19.818 -7.344 434 HG2 PRO 65 HG2 PRO 65 -7.587 17.280 -8.687 435 HG3 PRO 65 HG1 PRO 65 -7.117 18.831 -9.404 436 HD2 PRO 65 HD2 PRO 65 -5.476 16.534 -9.159 437 HD3 PRO 65 HD1 PRO 65 -4.942 18.168 -9.607 438 H ARG 66 H ARG 66 -7.570 18.068 -4.744 439 HA ARG 66 HA ARG 66 -6.803 15.342 -3.821 440 HB2 ARG 66 HB2 ARG 66 -7.452 17.627 -2.399 441 HB3 ARG 66 HB1 ARG 66 -8.954 16.704 -2.361 442 HG2 ARG 66 HG2 ARG 66 -8.024 15.533 -0.666 443 HG3 ARG 66 HG1 ARG 66 -7.011 14.776 -1.896 444 HD2 ARG 66 HD2 ARG 66 -5.163 15.901 -1.225 445 HD3 ARG 66 HD1 ARG 66 -6.045 17.420 -1.061 446 HE ARG 66 HE ARG 66 -6.896 15.876 1.096 447 HH11 ARG 66 1HH1 ARG 66 -5.356 18.429 1.411 448 HH12 ARG 66 2HH1 ARG 66 -3.931 17.894 2.238 449 HH21 ARG 66 1HH2 ARG 66 -4.430 14.547 1.481 450 HH22 ARG 66 2HH2 ARG 66 -3.408 15.695 2.280 451 H TYR 67 H TYR 67 -8.376 13.667 -3.768 452 HA TYR 67 HA TYR 67 -10.401 13.832 -5.849 453 HB2 TYR 67 HB2 TYR 67 -10.954 11.516 -5.149 454 HB3 TYR 67 HB1 TYR 67 -9.221 11.723 -5.402 455 HD1 TYR 67 HD2 TYR 67 -11.872 11.654 -2.781 456 HD2 TYR 67 HD1 TYR 67 -7.672 11.381 -3.638 457 HE1 TYR 67 HE2 TYR 67 -11.442 10.940 -0.446 458 HE2 TYR 67 HE1 TYR 67 -7.243 10.667 -1.302 459 HH TYR 67 HH TYR 67 -9.063 11.145 1.129 460 H HIS 68 H HIS 68 -10.376 15.030 -2.766 461 HA HIS 68 HA HIS 68 -12.059 15.536 -1.194 462 HB2 HIS 68 HB2 HIS 68 -12.612 16.963 -3.198 463 HB3 HIS 68 HB1 HIS 68 -13.741 15.709 -3.711 464 HD1 HIS 68 HD1 HIS 68 -16.018 15.695 -2.631 465 HD2 HIS 68 HD2 HIS 68 -13.329 18.145 -0.593 466 HE1 HIS 68 HE1 HIS 68 -17.360 16.922 -0.868 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -5.659 31.635 -5.204 2 H2 GLY 1 HT2 GLY 1 -5.074 32.606 -6.470 3 H3 GLY 1 HT3 GLY 1 -6.656 32.823 -5.891 4 HA2 GLY 1 HA1 GLY 1 -6.009 34.151 -4.248 5 HA3 GLY 1 HA2 GLY 1 -4.693 33.059 -3.819 6 H LYS 2 H LYS 2 -2.859 33.058 -5.565 7 HA LYS 2 HA LYS 2 -2.236 35.912 -6.138 8 HB2 LYS 2 HB2 LYS 2 -0.714 33.715 -5.135 9 HB3 LYS 2 HB1 LYS 2 -0.028 34.176 -6.692 10 HG2 LYS 2 HG2 LYS 2 1.033 35.828 -5.568 11 HG3 LYS 2 HG1 LYS 2 -0.541 36.619 -5.485 12 HD2 LYS 2 HD2 LYS 2 -0.289 34.566 -3.442 13 HD3 LYS 2 HD1 LYS 2 1.001 35.762 -3.311 14 HE2 LYS 2 HE2 LYS 2 -0.439 37.453 -2.763 15 HE3 LYS 2 HE1 LYS 2 -1.717 36.840 -3.813 16 HZ1 LYS 2 HZ1 LYS 2 -0.922 35.653 -1.210 17 HZ2 LYS 2 HZ2 LYS 2 -2.180 35.110 -2.215 18 HZ3 LYS 2 HZ3 LYS 2 -2.285 36.630 -1.464 19 H GLU 3 H GLU 3 -0.870 36.198 -8.217 20 HA GLU 3 HA GLU 3 -2.389 34.980 -10.434 21 HB2 GLU 3 HB2 GLU 3 -0.152 37.027 -10.518 22 HB3 GLU 3 HB1 GLU 3 -1.251 36.620 -11.835 23 HG2 GLU 3 HG2 GLU 3 -2.903 37.228 -9.635 24 HG3 GLU 3 HG1 GLU 3 -1.649 38.470 -9.646 25 H CYS 4 H CYS 4 -0.844 33.060 -9.122 26 HA CYS 4 HA CYS 4 1.398 32.655 -11.049 27 HB2 CYS 4 HB2 CYS 4 2.108 32.847 -8.658 28 HB3 CYS 4 HB1 CYS 4 1.103 31.449 -8.284 29 H ASP 5 H ASP 5 1.263 30.892 -12.374 30 HA ASP 5 HA ASP 5 -0.851 28.880 -11.737 31 HB2 ASP 5 HB2 ASP 5 -1.392 30.216 -13.728 32 HB3 ASP 5 HB1 ASP 5 0.175 29.826 -14.430 33 H CYS 6 H CYS 6 2.251 29.208 -11.323 34 HA CYS 6 HA CYS 6 2.831 26.374 -11.897 35 HB2 CYS 6 HB2 CYS 6 4.647 26.716 -13.316 36 HB3 CYS 6 HB1 CYS 6 3.594 28.026 -13.827 37 H SER 7 H SER 7 5.644 26.627 -11.212 38 HA SER 7 HA SER 7 5.836 28.094 -8.705 39 HB2 SER 7 HB2 SER 7 6.352 25.605 -7.668 40 HB3 SER 7 HB1 SER 7 4.839 26.480 -7.454 41 HG SER 7 HG SER 7 3.892 25.125 -8.759 42 H SER 8 H SER 8 7.350 27.787 -11.211 43 HA SER 8 HA SER 8 9.899 26.738 -10.054 44 HB2 SER 8 HB2 SER 8 10.093 26.775 -12.886 45 HB3 SER 8 HB1 SER 8 10.062 25.367 -11.827 46 HG SER 8 HG SER 8 7.836 25.330 -11.991 47 HA PRO 9 HA PRO 9 11.242 30.900 -10.784 48 HB2 PRO 9 HB2 PRO 9 13.869 30.489 -10.088 49 HB3 PRO 9 HB1 PRO 9 12.558 30.643 -8.906 50 HG2 PRO 9 HG2 PRO 9 14.029 28.199 -9.765 51 HG3 PRO 9 HG1 PRO 9 13.194 28.526 -8.238 52 HD2 PRO 9 HD2 PRO 9 12.200 26.956 -10.384 53 HD3 PRO 9 HD1 PRO 9 11.271 27.531 -8.984 54 H GLU 10 H GLU 10 11.890 28.268 -12.696 55 HA GLU 10 HA GLU 10 13.289 29.960 -14.694 56 HB2 GLU 10 HB2 GLU 10 14.222 27.139 -14.133 57 HB3 GLU 10 HB1 GLU 10 15.013 28.371 -15.117 58 HG2 GLU 10 HG2 GLU 10 15.365 29.747 -13.086 59 HG3 GLU 10 HG1 GLU 10 14.620 28.478 -12.112 60 H ASN 11 H ASN 11 10.687 29.496 -14.970 61 HA ASN 11 HA ASN 11 10.512 27.184 -16.857 62 HB2 ASN 11 HB2 ASN 11 9.004 27.582 -14.585 63 HB3 ASN 11 HB1 ASN 11 7.975 28.268 -15.840 64 HD21 ASN 11 1HD2 ASN 11 6.614 26.247 -15.206 65 HD22 ASN 11 2HD2 ASN 11 6.961 24.803 -16.030 66 HA PRO 12 HA PRO 12 9.662 30.324 -19.865 67 HB2 PRO 12 HB2 PRO 12 8.946 28.617 -21.896 68 HB3 PRO 12 HB1 PRO 12 10.625 28.899 -21.404 69 HG2 PRO 12 HG2 PRO 12 8.897 26.523 -20.901 70 HG3 PRO 12 HG1 PRO 12 10.663 26.627 -20.989 71 HD2 PRO 12 HD2 PRO 12 9.116 26.478 -18.617 72 HD3 PRO 12 HD1 PRO 12 10.844 26.881 -18.719 73 H CYS 13 H CYS 13 7.367 27.575 -20.043 74 HA CYS 13 HA CYS 13 5.132 28.966 -21.006 75 HB2 CYS 13 HB2 CYS 13 5.106 26.724 -18.965 76 HB3 CYS 13 HB1 CYS 13 3.780 27.178 -20.038 77 H CYS 14 H CYS 14 6.444 28.919 -17.725 78 HA CYS 14 HA CYS 14 4.246 30.790 -17.023 79 HB2 CYS 14 HB2 CYS 14 4.023 29.883 -14.930 80 HB3 CYS 14 HB1 CYS 14 4.586 28.456 -15.788 81 H ASP 15 H ASP 15 4.837 32.834 -16.736 82 HA ASP 15 HA ASP 15 7.671 33.552 -16.654 83 HB2 ASP 15 HB2 ASP 15 5.070 35.029 -16.841 84 HB3 ASP 15 HB1 ASP 15 6.498 35.912 -16.303 85 H ALA 16 H ALA 16 8.816 34.168 -14.864 86 HA ALA 16 HA ALA 16 7.677 33.646 -12.237 87 HB1 ALA 16 HB1 ALA 16 9.858 33.241 -11.858 88 HB2 ALA 16 HB2 ALA 16 10.142 34.979 -11.930 89 HB3 ALA 16 HB3 ALA 16 10.307 33.999 -13.386 90 H ALA 17 H ALA 17 8.473 36.548 -14.118 91 HA ALA 17 HA ALA 17 8.390 38.507 -12.118 92 HB1 ALA 17 HB1 ALA 17 8.175 38.466 -14.944 93 HB2 ALA 17 HB2 ALA 17 8.431 39.874 -13.913 94 HB3 ALA 17 HB3 ALA 17 6.793 39.389 -14.356 95 H THR 18 H THR 18 5.719 36.811 -13.692 96 HA THR 18 HA THR 18 3.873 37.975 -11.647 97 HB THR 18 HB THR 18 2.084 37.765 -13.205 98 HG1 THR 18 HG1 THR 18 3.881 36.299 -14.837 99 HG21 THR 18 3HG2 THR 18 3.799 39.576 -13.691 100 HG22 THR 18 1HG2 THR 18 2.789 39.106 -15.059 101 HG23 THR 18 2HG2 THR 18 4.445 38.512 -14.940 102 H CYS 19 H CYS 19 5.541 35.214 -12.610 103 HA CYS 19 HA CYS 19 5.455 32.996 -11.859 104 HB2 CYS 19 HB2 CYS 19 4.831 34.338 -9.691 105 HB3 CYS 19 HB1 CYS 19 3.205 33.742 -10.007 106 H LYS 20 H LYS 20 3.285 34.430 -13.703 107 HA LYS 20 HA LYS 20 1.300 32.201 -13.659 108 HB2 LYS 20 HB2 LYS 20 1.061 35.022 -14.051 109 HB3 LYS 20 HB1 LYS 20 0.561 34.214 -15.535 110 HG2 LYS 20 HG2 LYS 20 -0.438 32.925 -13.083 111 HG3 LYS 20 HG1 LYS 20 -1.040 34.567 -13.321 112 HD2 LYS 20 HD2 LYS 20 -1.431 33.745 -15.797 113 HD3 LYS 20 HD1 LYS 20 -1.414 32.145 -15.053 114 HE2 LYS 20 HE2 LYS 20 -3.201 34.456 -14.237 115 HE3 LYS 20 HE1 LYS 20 -3.709 33.033 -15.146 116 HZ1 LYS 20 HZ1 LYS 20 -3.679 31.746 -13.321 117 HZ2 LYS 20 HZ2 LYS 20 -3.848 33.222 -12.495 118 HZ3 LYS 20 HZ3 LYS 20 -2.315 32.507 -12.657 119 H LEU 21 H LEU 21 0.429 32.403 -16.345 120 HA LEU 21 HA LEU 21 2.897 31.500 -17.772 121 HB2 LEU 21 HB2 LEU 21 0.121 30.420 -17.786 122 HB3 LEU 21 HB1 LEU 21 1.099 30.295 -19.238 123 HG LEU 21 HG LEU 21 2.886 29.423 -17.388 124 HD11 LEU 21 1HD1 LEU 21 1.802 29.111 -15.421 125 HD12 LEU 21 2HD1 LEU 21 1.071 27.713 -16.210 126 HD13 LEU 21 3HD1 LEU 21 0.219 29.256 -16.184 127 HD21 LEU 21 3HD2 LEU 21 2.471 27.241 -18.231 128 HD22 LEU 21 1HD2 LEU 21 1.990 28.338 -19.525 129 HD23 LEU 21 2HD2 LEU 21 0.763 27.592 -18.501 130 H ARG 22 H ARG 22 2.555 31.338 -20.072 131 HA ARG 22 HA ARG 22 1.328 33.829 -21.114 132 HB2 ARG 22 HB2 ARG 22 3.536 32.012 -22.117 133 HB3 ARG 22 HB1 ARG 22 2.718 33.141 -23.197 134 HG2 ARG 22 HG2 ARG 22 3.592 35.006 -22.139 135 HG3 ARG 22 HG1 ARG 22 3.753 34.180 -20.589 136 HD2 ARG 22 HD2 ARG 22 5.921 33.802 -21.061 137 HD3 ARG 22 HD1 ARG 22 5.411 32.784 -22.409 138 HE ARG 22 HE ARG 22 5.320 35.552 -23.180 139 HH11 ARG 22 1HH2 ARG 22 6.624 32.898 -24.351 140 HH12 ARG 22 2HH2 ARG 22 8.242 33.474 -24.573 141 HH21 ARG 22 1HH1 ARG 22 7.774 36.325 -22.655 142 HH22 ARG 22 2HH1 ARG 22 8.892 35.417 -23.616 143 HA PRO 23 HA PRO 23 -1.943 31.102 -22.390 144 HB2 PRO 23 HB2 PRO 23 -2.948 32.801 -24.348 145 HB3 PRO 23 HB1 PRO 23 -3.316 32.917 -22.615 146 HG2 PRO 23 HG2 PRO 23 -1.311 34.499 -24.229 147 HG3 PRO 23 HG1 PRO 23 -2.378 35.051 -22.920 148 HD2 PRO 23 HD2 PRO 23 0.260 34.509 -22.432 149 HD3 PRO 23 HD1 PRO 23 -0.995 34.170 -21.235 150 H GLY 24 H GLY 24 0.050 29.881 -23.196 151 HA2 GLY 24 HA2 GLY 24 -0.198 29.505 -26.140 152 HA3 GLY 24 HA1 GLY 24 1.398 29.543 -25.383 153 H ALA 25 H ALA 25 0.895 28.140 -23.006 154 HA ALA 25 HA ALA 25 0.346 25.411 -24.082 155 HB1 ALA 25 HB1 ALA 25 2.548 25.897 -22.940 156 HB2 ALA 25 HB2 ALA 25 1.625 24.589 -22.201 157 HB3 ALA 25 HB3 ALA 25 1.644 26.185 -21.452 158 H GLN 26 H GLN 26 0.093 25.018 -20.866 159 HA GLN 26 HA GLN 26 -2.724 25.942 -20.666 160 HB2 GLN 26 HB2 GLN 26 -1.938 23.237 -21.151 161 HB3 GLN 26 HB1 GLN 26 -2.553 23.335 -19.501 162 HG2 GLN 26 HG2 GLN 26 -4.676 23.741 -20.192 163 HG3 GLN 26 HG1 GLN 26 -4.148 24.845 -21.461 164 HE21 GLN 26 1HE2 GLN 26 -3.619 23.928 -23.570 165 HE22 GLN 26 2HE2 GLN 26 -4.070 22.345 -23.984 166 H CYS 27 H CYS 27 0.095 24.501 -19.070 167 HA CYS 27 HA CYS 27 -0.465 26.174 -16.709 168 HB2 CYS 27 HB2 CYS 27 -1.202 24.491 -15.403 169 HB3 CYS 27 HB1 CYS 27 -1.145 23.411 -16.788 170 H GLY 28 H GLY 28 1.475 25.998 -15.147 171 HA2 GLY 28 HA2 GLY 28 3.953 25.837 -16.804 172 HA3 GLY 28 HA1 GLY 28 3.777 26.826 -15.353 173 H GLU 29 H GLU 29 2.522 24.864 -13.710 174 HA GLU 29 HA GLU 29 4.475 22.627 -13.605 175 HB2 GLU 29 HB2 GLU 29 5.146 24.688 -12.141 176 HB3 GLU 29 HB1 GLU 29 3.831 24.156 -11.092 177 HG2 GLU 29 HG2 GLU 29 5.884 22.171 -12.034 178 HG3 GLU 29 HG1 GLU 29 6.247 23.231 -10.670 179 H GLY 30 H GLY 30 3.676 20.832 -12.291 180 HA2 GLY 30 HA2 GLY 30 1.433 20.611 -10.737 181 HA3 GLY 30 HA1 GLY 30 0.753 20.648 -12.364 182 H LEU 31 H LEU 31 0.864 18.421 -10.367 183 HA LEU 31 HA LEU 31 2.785 16.468 -11.227 184 HB2 LEU 31 HB2 LEU 31 0.048 16.029 -9.992 185 HB3 LEU 31 HB1 LEU 31 1.355 14.847 -10.059 186 HG LEU 31 HG LEU 31 1.920 17.525 -8.847 187 HD11 LEU 31 1HD1 LEU 31 -0.182 16.868 -7.777 188 HD12 LEU 31 2HD1 LEU 31 1.153 16.654 -6.644 189 HD13 LEU 31 3HD1 LEU 31 0.459 15.255 -7.463 190 HD21 LEU 31 3HD2 LEU 31 3.350 15.191 -9.237 191 HD22 LEU 31 1HD2 LEU 31 2.826 15.042 -7.559 192 HD23 LEU 31 2HD2 LEU 31 3.761 16.447 -8.069 193 H CYS 32 H CYS 32 0.108 17.778 -12.819 194 HA CYS 32 HA CYS 32 0.081 15.450 -14.694 195 HB2 CYS 32 HB2 CYS 32 -2.340 17.189 -14.254 196 HB3 CYS 32 HB1 CYS 32 -2.257 15.563 -14.932 197 H CYS 33 H CYS 33 1.739 17.776 -14.906 198 HA CYS 33 HA CYS 33 0.478 19.124 -17.261 199 HB2 CYS 33 HB2 CYS 33 2.307 20.166 -15.109 200 HB3 CYS 33 HB1 CYS 33 2.275 20.934 -16.695 201 H GLU 34 H GLU 34 1.312 17.851 -18.912 202 HA GLU 34 HA GLU 34 4.247 17.344 -18.920 203 HB2 GLU 34 HB2 GLU 34 2.049 16.191 -20.670 204 HB3 GLU 34 HB1 GLU 34 3.750 15.721 -20.714 205 HG2 GLU 34 HG2 GLU 34 2.455 15.630 -18.046 206 HG3 GLU 34 HG1 GLU 34 1.899 14.431 -19.213 207 H GLN 35 H GLN 35 5.436 18.790 -20.059 208 HA GLN 35 HA GLN 35 6.045 20.304 -21.745 209 HB2 GLN 35 HB2 GLN 35 4.325 18.369 -23.012 210 HB3 GLN 35 HB1 GLN 35 4.005 19.967 -23.687 211 HG2 GLN 35 HG2 GLN 35 6.842 19.047 -23.304 212 HG3 GLN 35 HG1 GLN 35 5.928 18.511 -24.714 213 HE21 GLN 35 1HE2 GLN 35 8.233 20.591 -24.282 214 HE22 GLN 35 2HE2 GLN 35 7.676 21.956 -25.124 215 H CYS 36 H CYS 36 4.226 21.050 -19.614 216 HA CYS 36 HA CYS 36 3.008 22.965 -19.023 217 HB2 CYS 36 HB2 CYS 36 3.275 23.767 -21.934 218 HB3 CYS 36 HB1 CYS 36 2.894 24.820 -20.569 219 H LYS 37 H LYS 37 1.995 20.526 -20.919 220 HA LYS 37 HA LYS 37 -0.737 21.666 -21.297 221 HB2 LYS 37 HB2 LYS 37 0.782 19.458 -22.674 222 HB3 LYS 37 HB1 LYS 37 -0.982 19.489 -22.718 223 HG2 LYS 37 HG2 LYS 37 -0.972 21.114 -24.276 224 HG3 LYS 37 HG1 LYS 37 0.075 22.122 -23.278 225 HD2 LYS 37 HD2 LYS 37 1.823 21.680 -24.618 226 HD3 LYS 37 HD1 LYS 37 1.626 19.951 -24.333 227 HE2 LYS 37 HE2 LYS 37 0.466 19.624 -26.281 228 HE3 LYS 37 HE1 LYS 37 -0.329 21.196 -26.191 229 HZ1 LYS 37 HZ1 LYS 37 1.273 22.154 -27.388 230 HZ2 LYS 37 HZ2 LYS 37 1.718 20.579 -27.840 231 HZ3 LYS 37 HZ3 LYS 37 2.519 21.356 -26.560 232 H PHE 38 H PHE 38 -2.544 20.162 -20.746 233 HA PHE 38 HA PHE 38 -2.157 18.994 -18.136 234 HB2 PHE 38 HB2 PHE 38 -4.458 18.738 -20.094 235 HB3 PHE 38 HB1 PHE 38 -4.501 18.189 -18.420 236 HD1 PHE 38 HD2 PHE 38 -2.883 20.409 -17.164 237 HD2 PHE 38 HD1 PHE 38 -6.073 20.493 -20.038 238 HE1 PHE 38 HE2 PHE 38 -3.489 22.697 -16.423 239 HE2 PHE 38 HE1 PHE 38 -6.682 22.780 -19.297 240 HZ PHE 38 HZ PHE 38 -5.390 23.881 -17.489 241 H SER 39 H SER 39 -1.628 16.916 -17.601 242 HA SER 39 HA SER 39 -0.731 15.079 -19.629 243 HB2 SER 39 HB2 SER 39 -1.469 14.350 -16.786 244 HB3 SER 39 HB1 SER 39 -0.288 13.565 -17.830 245 HG SER 39 HG SER 39 1.053 14.882 -16.880 246 H ARG 40 H ARG 40 -1.814 13.335 -20.546 247 HA ARG 40 HA ARG 40 -4.541 13.357 -20.988 248 HB2 ARG 40 HB2 ARG 40 -4.369 10.928 -21.490 249 HB3 ARG 40 HB1 ARG 40 -3.032 11.842 -22.190 250 HG2 ARG 40 HG2 ARG 40 -2.359 11.050 -19.500 251 HG3 ARG 40 HG1 ARG 40 -2.860 9.636 -20.428 252 HD2 ARG 40 HD2 ARG 40 -1.306 10.810 -22.278 253 HD3 ARG 40 HD1 ARG 40 -0.518 11.431 -20.828 254 HE ARG 40 HE ARG 40 -0.989 8.558 -20.714 255 HH11 ARG 40 1HH1 ARG 40 0.663 9.846 -23.159 256 HH12 ARG 40 2HH1 ARG 40 2.256 9.421 -22.627 257 HH21 ARG 40 1HH2 ARG 40 1.241 8.537 -19.431 258 HH22 ARG 40 2HH2 ARG 40 2.583 8.682 -20.517 259 H ALA 41 H ALA 41 -6.230 11.783 -20.142 260 HA ALA 41 HA ALA 41 -6.423 12.067 -17.264 261 HB1 ALA 41 HB1 ALA 41 -8.392 12.095 -18.826 262 HB2 ALA 41 HB2 ALA 41 -8.570 10.957 -17.491 263 HB3 ALA 41 HB3 ALA 41 -8.140 10.370 -19.098 264 H GLY 42 H GLY 42 -6.436 10.359 -15.705 265 HA2 GLY 42 HA2 GLY 42 -6.014 8.148 -14.918 266 HA3 GLY 42 HA1 GLY 42 -5.626 7.662 -16.567 267 H LYS 43 H LYS 43 -4.098 10.570 -15.675 268 HA LYS 43 HA LYS 43 -1.480 9.294 -15.771 269 HB2 LYS 43 HB2 LYS 43 -1.614 11.495 -16.689 270 HB3 LYS 43 HB1 LYS 43 -2.393 12.127 -15.241 271 HG2 LYS 43 HG2 LYS 43 0.033 12.724 -15.388 272 HG3 LYS 43 HG1 LYS 43 -0.366 11.797 -13.941 273 HD2 LYS 43 HD2 LYS 43 0.320 9.713 -15.191 274 HD3 LYS 43 HD1 LYS 43 0.912 10.757 -16.483 275 HE2 LYS 43 HE2 LYS 43 1.879 10.646 -13.618 276 HE3 LYS 43 HE1 LYS 43 2.798 10.281 -15.078 277 HZ1 LYS 43 HZ1 LYS 43 1.678 12.938 -14.366 278 HZ2 LYS 43 HZ2 LYS 43 2.584 12.580 -15.758 279 HZ3 LYS 43 HZ3 LYS 43 3.307 12.487 -14.223 280 H ILE 44 H ILE 44 -0.671 8.212 -14.047 281 HA ILE 44 HA ILE 44 -1.698 8.361 -11.396 282 HB ILE 44 HB ILE 44 0.953 7.403 -12.493 283 HG12 ILE 44 2HG1 ILE 44 -1.321 6.242 -12.964 284 HG13 ILE 44 1HG1 ILE 44 0.005 5.244 -12.372 285 HG21 ILE 44 1HG2 ILE 44 1.379 6.390 -10.307 286 HG22 ILE 44 2HG2 ILE 44 -0.119 7.070 -9.674 287 HG23 ILE 44 3HG2 ILE 44 1.210 8.136 -10.128 288 HD11 ILE 44 3HD1 ILE 44 -0.877 5.231 -10.145 289 HD12 ILE 44 1HD1 ILE 44 -2.236 4.883 -11.215 290 HD13 ILE 44 2HD1 ILE 44 -2.044 6.497 -10.530 291 H CYS 45 H CYS 45 -1.519 10.027 -9.988 292 HA CYS 45 HA CYS 45 0.854 11.831 -10.240 293 HB2 CYS 45 HB2 CYS 45 -0.673 13.453 -8.945 294 HB3 CYS 45 HB1 CYS 45 -1.083 13.143 -10.632 295 H ARG 46 H ARG 46 -0.848 9.645 -8.168 296 HA ARG 46 HA ARG 46 1.255 9.889 -6.148 297 HB2 ARG 46 HB2 ARG 46 -0.908 11.556 -5.805 298 HB3 ARG 46 HB1 ARG 46 -1.389 10.135 -4.876 299 HG2 ARG 46 HG2 ARG 46 1.038 10.249 -3.915 300 HG3 ARG 46 HG1 ARG 46 1.005 11.916 -4.494 301 HD2 ARG 46 HD2 ARG 46 -1.449 11.610 -3.214 302 HD3 ARG 46 HD1 ARG 46 -0.321 10.739 -2.175 303 HE ARG 46 HE ARG 46 0.855 13.238 -2.865 304 HH11 ARG 46 1HH1 ARG 46 -0.946 11.579 -0.536 305 HH12 ARG 46 2HH1 ARG 46 -1.375 12.989 0.376 306 HH21 ARG 46 1HH2 ARG 46 -0.053 15.211 -1.935 307 HH22 ARG 46 2HH2 ARG 46 -0.867 15.045 -0.415 308 H ILE 47 H ILE 47 1.596 7.892 -5.307 309 HA ILE 47 HA ILE 47 -0.670 5.970 -5.227 310 HB ILE 47 HB ILE 47 0.657 5.645 -7.338 311 HG12 ILE 47 2HG1 ILE 47 -0.569 3.787 -6.137 312 HG13 ILE 47 1HG1 ILE 47 0.779 3.245 -7.134 313 HG21 ILE 47 1HG2 ILE 47 2.860 4.652 -5.535 314 HG22 ILE 47 2HG2 ILE 47 2.833 6.309 -6.138 315 HG23 ILE 47 3HG2 ILE 47 2.918 4.959 -7.270 316 HD11 ILE 47 3HD1 ILE 47 1.453 2.139 -5.271 317 HD12 ILE 47 1HD1 ILE 47 0.437 3.116 -4.214 318 HD13 ILE 47 2HD1 ILE 47 2.015 3.715 -4.719 319 HA PRO 48 HA PRO 48 1.453 5.633 -1.269 320 HB2 PRO 48 HB2 PRO 48 -0.709 4.542 0.031 321 HB3 PRO 48 HB1 PRO 48 -0.520 6.282 -0.255 322 HG2 PRO 48 HG2 PRO 48 -2.341 4.348 -1.600 323 HG3 PRO 48 HG1 PRO 48 -2.506 6.103 -1.417 324 HD2 PRO 48 HD2 PRO 48 -1.641 4.722 -3.752 325 HD3 PRO 48 HD1 PRO 48 -1.575 6.475 -3.478 326 H ARG 49 H ARG 49 -0.820 3.062 -2.291 327 HA ARG 49 HA ARG 49 1.351 1.073 -2.232 328 HB2 ARG 49 HB2 ARG 49 -0.044 1.436 0.099 329 HB3 ARG 49 HB1 ARG 49 -1.012 0.191 -0.693 330 HG2 ARG 49 HG2 ARG 49 0.778 -0.802 0.705 331 HG3 ARG 49 HG1 ARG 49 0.992 -1.196 -1.000 332 HD2 ARG 49 HD2 ARG 49 2.932 -0.025 -1.148 333 HD3 ARG 49 HD1 ARG 49 2.297 1.313 -0.193 334 HE ARG 49 HE ARG 49 3.856 0.320 1.341 335 HH11 ARG 49 1HH1 ARG 49 2.840 -2.346 -0.324 336 HH12 ARG 49 2HH1 ARG 49 2.572 -3.358 1.056 337 HH21 ARG 49 1HH2 ARG 49 2.923 -0.777 3.345 338 HH22 ARG 49 2HH2 ARG 49 2.621 -2.469 3.134 339 H LEU 50 H LEU 50 0.927 -0.533 -3.740 340 HA LEU 50 HA LEU 50 -1.279 -0.169 -5.537 341 HB2 LEU 50 HB2 LEU 50 0.605 -2.505 -5.169 342 HB3 LEU 50 HB1 LEU 50 -0.552 -2.363 -6.492 343 HG LEU 50 HG LEU 50 1.338 -1.467 -7.457 344 HD11 LEU 50 1HD1 LEU 50 0.202 0.973 -6.087 345 HD12 LEU 50 2HD1 LEU 50 -0.504 0.211 -7.512 346 HD13 LEU 50 3HD1 LEU 50 1.098 0.945 -7.605 347 HD21 LEU 50 3HD2 LEU 50 2.316 -1.388 -4.897 348 HD22 LEU 50 1HD2 LEU 50 2.238 0.324 -5.310 349 HD23 LEU 50 2HD2 LEU 50 3.176 -0.782 -6.313 350 H ASP 51 H ASP 51 -1.153 -1.570 -2.481 351 HA ASP 51 HA ASP 51 -3.226 -3.580 -2.943 352 HB2 ASP 51 HB2 ASP 51 -1.448 -3.320 -0.954 353 HB3 ASP 51 HB1 ASP 51 -2.762 -2.390 -0.235 354 H MET 52 H MET 52 -3.235 -0.331 -3.244 355 HA MET 52 HA MET 52 -6.116 -0.146 -2.500 356 HB2 MET 52 HB2 MET 52 -4.529 2.315 -2.048 357 HB3 MET 52 HB1 MET 52 -5.846 1.638 -1.092 358 HG2 MET 52 HG2 MET 52 -3.072 0.429 -1.122 359 HG3 MET 52 HG1 MET 52 -3.561 1.661 0.040 360 HE1 MET 52 HE1 MET 52 -4.506 1.570 1.754 361 HE2 MET 52 HE2 MET 52 -4.589 0.122 2.755 362 HE3 MET 52 HE3 MET 52 -6.056 0.757 2.015 363 HA PRO 53 HA PRO 53 -6.420 2.128 -6.258 364 HB2 PRO 53 HB2 PRO 53 -7.781 4.434 -5.636 365 HB3 PRO 53 HB1 PRO 53 -8.541 2.835 -5.705 366 HG2 PRO 53 HG2 PRO 53 -7.817 4.465 -3.323 367 HG3 PRO 53 HG1 PRO 53 -9.069 3.223 -3.492 368 HD2 PRO 53 HD2 PRO 53 -6.544 2.892 -2.257 369 HD3 PRO 53 HD1 PRO 53 -7.665 1.587 -2.704 370 H ASP 54 H ASP 54 -5.168 3.506 -7.510 371 HA ASP 54 HA ASP 54 -3.167 5.156 -6.083 372 HB2 ASP 54 HB2 ASP 54 -3.372 4.659 -9.063 373 HB3 ASP 54 HB1 ASP 54 -1.956 5.181 -8.151 374 H ASP 55 H ASP 55 -2.718 7.366 -6.898 375 HA ASP 55 HA ASP 55 -5.254 8.789 -7.462 376 HB2 ASP 55 HB2 ASP 55 -2.975 9.349 -5.891 377 HB3 ASP 55 HB1 ASP 55 -2.931 10.501 -7.225 378 H ARG 56 H ARG 56 -5.707 8.949 -9.623 379 HA ARG 56 HA ARG 56 -3.420 9.484 -11.473 380 HB2 ARG 56 HB2 ARG 56 -6.155 8.430 -12.228 381 HB3 ARG 56 HB1 ARG 56 -4.701 8.457 -13.225 382 HG2 ARG 56 HG2 ARG 56 -3.717 7.050 -11.185 383 HG3 ARG 56 HG1 ARG 56 -5.418 6.637 -10.967 384 HD2 ARG 56 HD2 ARG 56 -4.229 6.479 -13.715 385 HD3 ARG 56 HD1 ARG 56 -3.895 5.185 -12.567 386 HE ARG 56 HE ARG 56 -6.264 4.658 -12.537 387 HH11 ARG 56 1HH2 ARG 56 -5.619 4.914 -15.499 388 HH12 ARG 56 2HH2 ARG 56 -6.947 5.878 -16.052 389 HH21 ARG 56 1HH1 ARG 56 -7.874 6.902 -12.872 390 HH22 ARG 56 2HH1 ARG 56 -8.223 7.004 -14.565 391 H CYS 57 H CYS 57 -3.746 11.103 -13.123 392 HA CYS 57 HA CYS 57 -5.412 13.332 -12.213 393 HB2 CYS 57 HB2 CYS 57 -3.870 13.134 -14.808 394 HB3 CYS 57 HB1 CYS 57 -4.375 14.596 -13.967 395 H THR 58 H THR 58 -7.302 14.048 -13.163 396 HA THR 58 HA THR 58 -8.891 12.166 -14.630 397 HB THR 58 HB THR 58 -10.587 13.849 -14.639 398 HG1 THR 58 HG1 THR 58 -9.863 16.045 -14.001 399 HG21 THR 58 3HG2 THR 58 -8.901 13.481 -12.278 400 HG22 THR 58 1HG2 THR 58 -10.658 13.453 -12.415 401 HG23 THR 58 2HG2 THR 58 -9.813 14.989 -12.230 402 H GLY 59 H GLY 59 -6.395 14.147 -15.696 403 HA2 GLY 59 HA2 GLY 59 -5.665 14.061 -18.012 404 HA3 GLY 59 HA1 GLY 59 -7.342 13.825 -18.499 405 H GLN 60 H GLN 60 -8.539 15.893 -17.002 406 HA GLN 60 HA GLN 60 -7.627 18.225 -18.577 407 HB2 GLN 60 HB2 GLN 60 -10.037 18.016 -16.752 408 HB3 GLN 60 HB1 GLN 60 -9.746 19.226 -18.001 409 HG2 GLN 60 HG2 GLN 60 -9.577 16.499 -19.037 410 HG3 GLN 60 HG1 GLN 60 -11.156 16.855 -18.340 411 HE21 GLN 60 1HE2 GLN 60 -12.205 16.990 -20.445 412 HE22 GLN 60 2HE2 GLN 60 -11.910 18.285 -21.503 413 H SER 61 H SER 61 -7.445 16.974 -15.366 414 HA SER 61 HA SER 61 -7.051 19.591 -14.096 415 HB2 SER 61 HB2 SER 61 -6.746 16.739 -13.145 416 HB3 SER 61 HB1 SER 61 -6.299 18.116 -12.140 417 HG SER 61 HG SER 61 -8.823 17.889 -13.403 418 H ALA 62 H ALA 62 -5.096 20.603 -13.770 419 HA ALA 62 HA ALA 62 -2.745 19.510 -15.137 420 HB1 ALA 62 HB1 ALA 62 -2.010 21.774 -13.600 421 HB2 ALA 62 HB2 ALA 62 -3.629 22.100 -14.222 422 HB3 ALA 62 HB3 ALA 62 -2.317 21.713 -15.336 423 H ASP 63 H ASP 63 -3.627 20.322 -11.774 424 HA ASP 63 HA ASP 63 -1.198 18.869 -10.850 425 HB2 ASP 63 HB2 ASP 63 -3.120 20.288 -9.024 426 HB3 ASP 63 HB1 ASP 63 -1.384 20.041 -8.833 427 H CYS 64 H CYS 64 -1.797 17.694 -8.587 428 HA CYS 64 HA CYS 64 -4.142 15.944 -9.205 429 HB2 CYS 64 HB2 CYS 64 -1.886 14.845 -9.292 430 HB3 CYS 64 HB1 CYS 64 -1.679 15.237 -7.587 431 HA PRO 65 HA PRO 65 -5.686 17.662 -5.436 432 HB2 PRO 65 HB2 PRO 65 -8.129 16.456 -5.684 433 HB3 PRO 65 HB1 PRO 65 -7.695 17.942 -6.529 434 HG2 PRO 65 HG2 PRO 65 -7.994 15.176 -7.582 435 HG3 PRO 65 HG1 PRO 65 -8.128 16.723 -8.437 436 HD2 PRO 65 HD2 PRO 65 -5.902 14.972 -8.489 437 HD3 PRO 65 HD1 PRO 65 -5.943 16.642 -9.093 438 H ARG 66 H ARG 66 -7.333 16.339 -3.723 439 HA ARG 66 HA ARG 66 -5.754 13.904 -3.023 440 HB2 ARG 66 HB2 ARG 66 -6.557 14.290 -0.711 441 HB3 ARG 66 HB1 ARG 66 -5.692 15.695 -1.337 442 HG2 ARG 66 HG2 ARG 66 -7.734 16.870 -1.774 443 HG3 ARG 66 HG1 ARG 66 -8.702 15.422 -1.495 444 HD2 ARG 66 HD2 ARG 66 -8.360 15.482 0.824 445 HD3 ARG 66 HD1 ARG 66 -6.923 16.493 0.682 446 HE ARG 66 HE ARG 66 -9.641 17.570 0.056 447 HH11 ARG 66 1HH1 ARG 66 -7.082 19.186 -0.282 448 HH12 ARG 66 2HH1 ARG 66 -7.072 20.111 1.184 449 HH21 ARG 66 1HH2 ARG 66 -9.421 18.112 2.770 450 HH22 ARG 66 2HH2 ARG 66 -8.397 19.502 2.911 451 H TYR 67 H TYR 67 -6.797 11.951 -2.864 452 HA TYR 67 HA TYR 67 -9.476 11.703 -3.925 453 HB2 TYR 67 HB2 TYR 67 -9.217 9.315 -3.451 454 HB3 TYR 67 HB1 TYR 67 -7.727 9.937 -4.163 455 HD1 TYR 67 HD2 TYR 67 -9.346 8.791 -1.048 456 HD2 TYR 67 HD1 TYR 67 -5.693 10.152 -2.853 457 HE1 TYR 67 HE2 TYR 67 -8.083 8.054 0.954 458 HE2 TYR 67 HE1 TYR 67 -4.429 9.416 -0.850 459 HH TYR 67 HH TYR 67 -4.896 7.553 1.035 460 H HIS 68 H HIS 68 -11.403 11.249 -2.803 461 HA HIS 68 HA HIS 68 -11.537 10.677 0.005 462 HB2 HIS 68 HB2 HIS 68 -10.877 13.309 -0.443 463 HB3 HIS 68 HB1 HIS 68 -12.635 13.388 -0.331 464 HD1 HIS 68 HD1 HIS 68 -9.857 13.701 1.790 465 HD2 HIS 68 HD2 HIS 68 -13.420 11.557 2.103 466 HE1 HIS 68 HE1 HIS 68 -10.177 13.196 4.252 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -10.281 30.666 -3.150 2 H2 GLY 1 HT2 GLY 1 -9.701 31.533 -1.808 3 H3 GLY 1 HT3 GLY 1 -8.804 30.235 -2.436 4 HA2 GLY 1 HA1 GLY 1 -9.211 31.982 -4.549 5 HA3 GLY 1 HA2 GLY 1 -8.720 32.959 -3.165 6 H LYS 2 H LYS 2 -7.501 31.316 -5.736 7 HA LYS 2 HA LYS 2 -5.034 30.454 -4.299 8 HB2 LYS 2 HB2 LYS 2 -6.238 29.763 -6.974 9 HB3 LYS 2 HB1 LYS 2 -4.522 29.488 -6.667 10 HG2 LYS 2 HG2 LYS 2 -5.437 28.358 -4.450 11 HG3 LYS 2 HG1 LYS 2 -6.905 28.178 -5.412 12 HD2 LYS 2 HD2 LYS 2 -5.798 26.877 -7.061 13 HD3 LYS 2 HD1 LYS 2 -4.203 27.343 -6.470 14 HE2 LYS 2 HE2 LYS 2 -4.240 25.820 -4.763 15 HE3 LYS 2 HE1 LYS 2 -5.974 26.003 -4.501 16 HZ1 LYS 2 HZ1 LYS 2 -4.571 24.355 -6.503 17 HZ2 LYS 2 HZ2 LYS 2 -6.177 24.847 -6.763 18 HZ3 LYS 2 HZ3 LYS 2 -5.783 23.899 -5.408 19 H GLU 3 H GLU 3 -4.027 32.489 -4.039 20 HA GLU 3 HA GLU 3 -3.759 34.340 -6.270 21 HB2 GLU 3 HB2 GLU 3 -3.674 34.786 -3.669 22 HB3 GLU 3 HB1 GLU 3 -1.961 34.412 -3.867 23 HG2 GLU 3 HG2 GLU 3 -2.378 36.102 -5.974 24 HG3 GLU 3 HG1 GLU 3 -3.490 36.767 -4.778 25 H CYS 4 H CYS 4 -2.090 31.530 -5.229 26 HA CYS 4 HA CYS 4 0.140 32.231 -7.087 27 HB2 CYS 4 HB2 CYS 4 0.921 32.042 -4.742 28 HB3 CYS 4 HB1 CYS 4 0.266 30.406 -4.668 29 H ASP 5 H ASP 5 -0.272 31.168 -8.934 30 HA ASP 5 HA ASP 5 -1.516 28.482 -8.850 31 HB2 ASP 5 HB2 ASP 5 -2.074 30.502 -10.487 32 HB3 ASP 5 HB1 ASP 5 -0.708 29.850 -11.395 33 H CYS 6 H CYS 6 1.381 29.329 -8.160 34 HA CYS 6 HA CYS 6 2.655 27.091 -9.634 35 HB2 CYS 6 HB2 CYS 6 3.057 29.588 -10.570 36 HB3 CYS 6 HB1 CYS 6 4.294 29.557 -9.313 37 H SER 7 H SER 7 5.186 27.251 -8.623 38 HA SER 7 HA SER 7 5.224 27.942 -5.804 39 HB2 SER 7 HB2 SER 7 5.122 24.998 -6.522 40 HB3 SER 7 HB1 SER 7 5.366 25.664 -4.911 41 HG SER 7 HG SER 7 3.084 25.168 -6.164 42 H SER 8 H SER 8 6.865 28.240 -8.278 43 HA SER 8 HA SER 8 9.420 27.360 -7.077 44 HB2 SER 8 HB2 SER 8 8.313 26.392 -9.674 45 HB3 SER 8 HB1 SER 8 10.038 26.738 -9.601 46 HG SER 8 HG SER 8 8.946 24.559 -8.853 47 HA PRO 9 HA PRO 9 10.382 31.425 -8.562 48 HB2 PRO 9 HB2 PRO 9 13.020 31.405 -7.789 49 HB3 PRO 9 HB1 PRO 9 11.674 31.659 -6.664 50 HG2 PRO 9 HG2 PRO 9 13.379 29.242 -7.034 51 HG3 PRO 9 HG1 PRO 9 12.489 29.779 -5.600 52 HD2 PRO 9 HD2 PRO 9 11.682 27.740 -7.395 53 HD3 PRO 9 HD1 PRO 9 10.670 28.496 -6.146 54 H GLU 10 H GLU 10 11.488 28.513 -9.838 55 HA GLU 10 HA GLU 10 13.152 29.892 -11.903 56 HB2 GLU 10 HB2 GLU 10 13.173 27.140 -10.729 57 HB3 GLU 10 HB1 GLU 10 13.659 27.324 -12.414 58 HG2 GLU 10 HG2 GLU 10 15.585 28.412 -11.874 59 HG3 GLU 10 HG1 GLU 10 14.823 29.309 -10.559 60 H ASN 11 H ASN 11 10.352 30.119 -12.038 61 HA ASN 11 HA ASN 11 9.746 28.359 -14.375 62 HB2 ASN 11 HB2 ASN 11 8.417 28.203 -12.058 63 HB3 ASN 11 HB1 ASN 11 7.529 29.546 -12.774 64 HD21 ASN 11 1HD2 ASN 11 6.594 26.723 -12.329 65 HD22 ASN 11 2HD2 ASN 11 6.142 26.148 -13.860 66 HA PRO 12 HA PRO 12 9.514 32.400 -16.279 67 HB2 PRO 12 HB2 PRO 12 9.185 31.441 -18.836 68 HB3 PRO 12 HB1 PRO 12 10.755 31.539 -18.020 69 HG2 PRO 12 HG2 PRO 12 9.071 29.140 -18.565 70 HG3 PRO 12 HG1 PRO 12 10.826 29.254 -18.353 71 HD2 PRO 12 HD2 PRO 12 8.976 28.357 -16.409 72 HD3 PRO 12 HD1 PRO 12 10.672 28.791 -16.113 73 H CYS 13 H CYS 13 7.130 29.909 -16.216 74 HA CYS 13 HA CYS 13 5.091 31.554 -17.597 75 HB2 CYS 13 HB2 CYS 13 5.407 28.735 -16.869 76 HB3 CYS 13 HB1 CYS 13 3.798 29.357 -16.498 77 H CYS 14 H CYS 14 6.210 30.876 -14.393 78 HA CYS 14 HA CYS 14 3.696 31.976 -13.238 79 HB2 CYS 14 HB2 CYS 14 5.927 31.057 -11.493 80 HB3 CYS 14 HB1 CYS 14 4.189 30.897 -11.267 81 H ASP 15 H ASP 15 3.657 34.014 -12.421 82 HA ASP 15 HA ASP 15 6.143 35.612 -12.555 83 HB2 ASP 15 HB2 ASP 15 3.378 36.148 -12.945 84 HB3 ASP 15 HB1 ASP 15 3.890 37.085 -11.541 85 H ALA 16 H ALA 16 7.403 35.487 -10.746 86 HA ALA 16 HA ALA 16 6.522 34.640 -8.181 87 HB1 ALA 16 HB1 ALA 16 8.859 34.550 -8.585 88 HB2 ALA 16 HB2 ALA 16 8.666 35.838 -7.396 89 HB3 ALA 16 HB3 ALA 16 8.917 36.237 -9.096 90 H ALA 17 H ALA 17 6.633 37.842 -9.658 91 HA ALA 17 HA ALA 17 6.320 39.495 -7.420 92 HB1 ALA 17 HB1 ALA 17 4.480 40.190 -9.599 93 HB2 ALA 17 HB2 ALA 17 6.114 39.831 -10.160 94 HB3 ALA 17 HB3 ALA 17 5.852 41.095 -8.957 95 H THR 18 H THR 18 3.956 37.385 -8.966 96 HA THR 18 HA THR 18 2.087 38.001 -6.714 97 HB THR 18 HB THR 18 0.205 37.802 -8.208 98 HG1 THR 18 HG1 THR 18 0.796 37.496 -10.522 99 HG21 THR 18 3HG2 THR 18 0.902 39.543 -10.013 100 HG22 THR 18 1HG2 THR 18 2.457 39.546 -9.181 101 HG23 THR 18 2HG2 THR 18 0.994 40.011 -8.315 102 H CYS 19 H CYS 19 4.033 35.698 -8.093 103 HA CYS 19 HA CYS 19 4.188 33.384 -7.769 104 HB2 CYS 19 HB2 CYS 19 3.255 34.258 -5.438 105 HB3 CYS 19 HB1 CYS 19 1.799 33.416 -5.960 106 H LYS 20 H LYS 20 2.022 34.863 -9.511 107 HA LYS 20 HA LYS 20 0.438 32.392 -10.127 108 HB2 LYS 20 HB2 LYS 20 -0.352 35.215 -9.833 109 HB3 LYS 20 HB1 LYS 20 -0.953 34.459 -11.305 110 HG2 LYS 20 HG2 LYS 20 -1.219 32.752 -8.930 111 HG3 LYS 20 HG1 LYS 20 -2.134 34.256 -8.817 112 HD2 LYS 20 HD2 LYS 20 -2.269 32.255 -11.092 113 HD3 LYS 20 HD1 LYS 20 -3.513 32.527 -9.872 114 HE2 LYS 20 HE2 LYS 20 -2.769 35.036 -11.095 115 HE3 LYS 20 HE1 LYS 20 -3.221 33.870 -12.339 116 HZ1 LYS 20 HZ1 LYS 20 -4.938 33.889 -10.016 117 HZ2 LYS 20 HZ2 LYS 20 -5.340 33.847 -11.665 118 HZ3 LYS 20 HZ3 LYS 20 -4.966 35.326 -10.916 119 H LEU 21 H LEU 21 -0.124 32.224 -12.510 120 HA LEU 21 HA LEU 21 2.261 32.680 -14.088 121 HB2 LEU 21 HB2 LEU 21 -0.454 31.888 -15.154 122 HB3 LEU 21 HB1 LEU 21 1.120 31.564 -15.872 123 HG LEU 21 HG LEU 21 1.256 30.516 -13.263 124 HD11 LEU 21 1HD1 LEU 21 -1.201 30.632 -13.151 125 HD12 LEU 21 2HD1 LEU 21 -0.664 28.954 -13.237 126 HD13 LEU 21 3HD1 LEU 21 -1.319 29.746 -14.671 127 HD21 LEU 21 3HD2 LEU 21 2.062 29.763 -15.684 128 HD22 LEU 21 1HD2 LEU 21 0.598 28.784 -15.618 129 HD23 LEU 21 2HD2 LEU 21 1.852 28.577 -14.395 130 H ARG 22 H ARG 22 2.727 34.343 -15.422 131 HA ARG 22 HA ARG 22 0.974 36.682 -15.386 132 HB2 ARG 22 HB2 ARG 22 3.679 36.358 -15.539 133 HB3 ARG 22 HB1 ARG 22 3.281 36.685 -17.226 134 HG2 ARG 22 HG2 ARG 22 1.770 38.475 -15.575 135 HG3 ARG 22 HG1 ARG 22 3.462 38.552 -15.084 136 HD2 ARG 22 HD2 ARG 22 3.810 38.570 -17.746 137 HD3 ARG 22 HD1 ARG 22 2.206 39.299 -17.681 138 HE ARG 22 HE ARG 22 3.146 41.174 -16.503 139 HH11 ARG 22 1HH2 ARG 22 5.109 39.837 -14.749 140 HH12 ARG 22 2HH2 ARG 22 6.627 40.271 -15.464 141 HH21 ARG 22 1HH1 ARG 22 5.228 41.231 -18.488 142 HH22 ARG 22 2HH1 ARG 22 6.693 41.061 -17.580 143 HA PRO 23 HA PRO 23 0.743 35.745 -20.067 144 HB2 PRO 23 HB2 PRO 23 1.693 33.308 -20.918 145 HB3 PRO 23 HB1 PRO 23 2.676 34.781 -20.850 146 HG2 PRO 23 HG2 PRO 23 2.720 32.412 -19.042 147 HG3 PRO 23 HG1 PRO 23 4.010 33.570 -19.405 148 HD2 PRO 23 HD2 PRO 23 2.410 33.536 -17.072 149 HD3 PRO 23 HD1 PRO 23 3.477 34.860 -17.584 150 H GLY 24 H GLY 24 -0.617 34.158 -21.472 151 HA2 GLY 24 HA2 GLY 24 -2.889 33.292 -19.937 152 HA3 GLY 24 HA1 GLY 24 -2.643 32.988 -21.656 153 H ALA 25 H ALA 25 -1.085 31.944 -18.602 154 HA ALA 25 HA ALA 25 -0.924 29.194 -19.748 155 HB1 ALA 25 HB1 ALA 25 1.219 29.722 -19.006 156 HB2 ALA 25 HB2 ALA 25 0.554 28.944 -17.569 157 HB3 ALA 25 HB3 ALA 25 0.625 30.704 -17.666 158 H GLN 26 H GLN 26 -1.415 27.403 -18.192 159 HA GLN 26 HA GLN 26 -3.817 28.106 -16.600 160 HB2 GLN 26 HB2 GLN 26 -2.704 25.584 -17.777 161 HB3 GLN 26 HB1 GLN 26 -3.804 25.469 -16.406 162 HG2 GLN 26 HG2 GLN 26 -5.529 26.664 -17.601 163 HG3 GLN 26 HG1 GLN 26 -4.423 27.032 -18.926 164 HE21 GLN 26 1HE2 GLN 26 -6.981 25.429 -18.998 165 HE22 GLN 26 2HE2 GLN 26 -6.538 23.911 -19.616 166 H CYS 27 H CYS 27 -0.994 25.966 -16.192 167 HA CYS 27 HA CYS 27 -0.598 27.023 -13.472 168 HB2 CYS 27 HB2 CYS 27 -1.735 25.304 -12.531 169 HB3 CYS 27 HB1 CYS 27 -1.870 24.466 -14.066 170 H GLY 28 H GLY 28 1.560 26.772 -12.771 171 HA2 GLY 28 HA2 GLY 28 3.411 25.762 -14.891 172 HA3 GLY 28 HA1 GLY 28 3.815 27.057 -13.763 173 H GLU 29 H GLU 29 2.295 25.309 -11.688 174 HA GLU 29 HA GLU 29 4.401 23.242 -11.277 175 HB2 GLU 29 HB2 GLU 29 4.692 25.481 -9.934 176 HB3 GLU 29 HB1 GLU 29 3.371 24.848 -8.953 177 HG2 GLU 29 HG2 GLU 29 5.763 23.130 -9.590 178 HG3 GLU 29 HG1 GLU 29 5.808 24.274 -8.247 179 H GLY 30 H GLY 30 3.596 21.335 -10.386 180 HA2 GLY 30 HA2 GLY 30 1.423 20.876 -8.766 181 HA3 GLY 30 HA1 GLY 30 0.689 21.041 -10.361 182 H LEU 31 H LEU 31 0.703 18.625 -8.805 183 HA LEU 31 HA LEU 31 2.751 16.800 -9.584 184 HB2 LEU 31 HB2 LEU 31 -0.050 16.562 -8.568 185 HB3 LEU 31 HB1 LEU 31 0.700 15.126 -9.267 186 HG LEU 31 HG LEU 31 2.203 16.775 -7.251 187 HD11 LEU 31 1HD1 LEU 31 1.290 15.297 -5.477 188 HD12 LEU 31 2HD1 LEU 31 0.173 14.602 -6.653 189 HD13 LEU 31 3HD1 LEU 31 0.037 16.302 -6.204 190 HD21 LEU 31 3HD2 LEU 31 3.333 14.976 -8.555 191 HD22 LEU 31 1HD2 LEU 31 2.168 13.814 -7.920 192 HD23 LEU 31 2HD2 LEU 31 3.294 14.620 -6.828 193 H CYS 32 H CYS 32 0.284 18.280 -11.423 194 HA CYS 32 HA CYS 32 0.926 16.467 -13.691 195 HB2 CYS 32 HB2 CYS 32 -1.769 16.972 -12.499 196 HB3 CYS 32 HB1 CYS 32 -1.655 16.840 -14.253 197 H CYS 33 H CYS 33 2.195 18.736 -13.749 198 HA CYS 33 HA CYS 33 0.550 20.506 -15.510 199 HB2 CYS 33 HB2 CYS 33 1.440 21.249 -13.016 200 HB3 CYS 33 HB1 CYS 33 2.714 21.870 -14.069 201 H GLU 34 H GLU 34 1.491 20.914 -17.460 202 HA GLU 34 HA GLU 34 4.427 20.773 -17.737 203 HB2 GLU 34 HB2 GLU 34 3.849 18.459 -18.107 204 HB3 GLU 34 HB1 GLU 34 2.525 18.909 -19.181 205 HG2 GLU 34 HG2 GLU 34 4.359 18.255 -20.587 206 HG3 GLU 34 HG1 GLU 34 4.253 20.014 -20.675 207 H GLN 35 H GLN 35 5.058 22.355 -19.132 208 HA GLN 35 HA GLN 35 4.971 23.919 -20.883 209 HB2 GLN 35 HB2 GLN 35 3.763 21.758 -21.947 210 HB3 GLN 35 HB1 GLN 35 2.393 22.871 -21.937 211 HG2 GLN 35 HG2 GLN 35 3.247 23.655 -23.885 212 HG3 GLN 35 HG1 GLN 35 4.442 24.465 -22.871 213 HE21 GLN 35 1HE2 GLN 35 3.886 21.512 -24.807 214 HE22 GLN 35 2HE2 GLN 35 5.530 21.133 -24.996 215 H CYS 36 H CYS 36 3.571 24.289 -18.288 216 HA CYS 36 HA CYS 36 2.231 25.964 -17.329 217 HB2 CYS 36 HB2 CYS 36 1.880 27.064 -20.125 218 HB3 CYS 36 HB1 CYS 36 1.817 27.939 -18.593 219 H LYS 37 H LYS 37 1.185 23.552 -19.157 220 HA LYS 37 HA LYS 37 -1.676 24.399 -18.990 221 HB2 LYS 37 HB2 LYS 37 -0.511 22.355 -20.900 222 HB3 LYS 37 HB1 LYS 37 -2.159 22.984 -20.892 223 HG2 LYS 37 HG2 LYS 37 -0.969 25.315 -21.147 224 HG3 LYS 37 HG1 LYS 37 0.379 24.344 -21.743 225 HD2 LYS 37 HD2 LYS 37 -1.291 23.225 -23.312 226 HD3 LYS 37 HD1 LYS 37 -2.428 24.493 -22.858 227 HE2 LYS 37 HE2 LYS 37 -0.359 26.065 -23.449 228 HE3 LYS 37 HE1 LYS 37 0.088 24.689 -24.458 229 HZ1 LYS 37 HZ1 LYS 37 -2.429 26.249 -24.542 230 HZ2 LYS 37 HZ2 LYS 37 -2.230 24.766 -25.346 231 HZ3 LYS 37 HZ3 LYS 37 -1.262 26.099 -25.763 232 H PHE 38 H PHE 38 -3.161 22.460 -18.655 233 HA PHE 38 HA PHE 38 -2.269 20.949 -16.370 234 HB2 PHE 38 HB2 PHE 38 -4.674 20.461 -18.155 235 HB3 PHE 38 HB1 PHE 38 -4.434 19.804 -16.536 236 HD1 PHE 38 HD2 PHE 38 -3.263 22.110 -15.110 237 HD2 PHE 38 HD1 PHE 38 -6.491 21.947 -17.939 238 HE1 PHE 38 HE2 PHE 38 -4.229 24.171 -14.128 239 HE2 PHE 38 HE1 PHE 38 -7.457 24.009 -16.957 240 HZ PHE 38 HZ PHE 38 -6.326 25.121 -15.051 241 H SER 39 H SER 39 -1.988 18.619 -16.250 242 HA SER 39 HA SER 39 -0.406 17.554 -18.402 243 HB2 SER 39 HB2 SER 39 -0.191 15.597 -17.048 244 HB3 SER 39 HB1 SER 39 -0.267 16.950 -15.922 245 HG SER 39 HG SER 39 -2.672 16.446 -16.062 246 H ARG 40 H ARG 40 -2.332 14.959 -17.553 247 HA ARG 40 HA ARG 40 -4.263 15.426 -19.766 248 HB2 ARG 40 HB2 ARG 40 -1.999 13.600 -19.795 249 HB3 ARG 40 HB1 ARG 40 -3.522 12.735 -19.994 250 HG2 ARG 40 HG2 ARG 40 -4.081 14.640 -21.703 251 HG3 ARG 40 HG1 ARG 40 -2.334 14.887 -21.726 252 HD2 ARG 40 HD2 ARG 40 -2.345 13.262 -23.317 253 HD3 ARG 40 HD1 ARG 40 -2.495 12.161 -21.948 254 HE ARG 40 HE ARG 40 -5.077 12.584 -22.372 255 HH11 ARG 40 1HH2 ARG 40 -3.879 10.254 -23.785 256 HH12 ARG 40 2HH2 ARG 40 -4.297 10.564 -25.438 257 HH21 ARG 40 1HH1 ARG 40 -5.044 13.906 -24.900 258 HH22 ARG 40 2HH1 ARG 40 -4.955 12.632 -26.069 259 H ALA 41 H ALA 41 -6.084 13.878 -19.683 260 HA ALA 41 HA ALA 41 -6.971 13.422 -16.966 261 HB1 ALA 41 HB1 ALA 41 -8.906 12.268 -18.111 262 HB2 ALA 41 HB2 ALA 41 -8.092 12.563 -19.648 263 HB3 ALA 41 HB3 ALA 41 -8.624 13.921 -18.656 264 H GLY 42 H GLY 42 -6.530 11.660 -15.727 265 HA2 GLY 42 HA2 GLY 42 -6.334 9.301 -15.307 266 HA3 GLY 42 HA1 GLY 42 -6.100 9.037 -17.035 267 H LYS 43 H LYS 43 -4.360 11.507 -15.246 268 HA LYS 43 HA LYS 43 -1.831 10.082 -15.887 269 HB2 LYS 43 HB2 LYS 43 -1.746 12.317 -16.664 270 HB3 LYS 43 HB1 LYS 43 -2.516 12.943 -15.208 271 HG2 LYS 43 HG2 LYS 43 -0.153 13.476 -15.107 272 HG3 LYS 43 HG1 LYS 43 -0.491 12.233 -13.902 273 HD2 LYS 43 HD2 LYS 43 0.682 10.620 -15.038 274 HD3 LYS 43 HD1 LYS 43 0.263 11.283 -16.619 275 HE2 LYS 43 HE2 LYS 43 1.809 13.213 -16.135 276 HE3 LYS 43 HE1 LYS 43 2.329 12.359 -14.683 277 HZ1 LYS 43 HZ1 LYS 43 3.815 11.902 -16.515 278 HZ2 LYS 43 HZ2 LYS 43 2.523 11.350 -17.470 279 HZ3 LYS 43 HZ3 LYS 43 2.986 10.488 -16.079 280 H ILE 44 H ILE 44 -0.828 8.975 -14.275 281 HA ILE 44 HA ILE 44 -1.807 8.867 -11.604 282 HB ILE 44 HB ILE 44 0.842 8.097 -12.838 283 HG12 ILE 44 2HG1 ILE 44 -1.297 6.823 -13.348 284 HG13 ILE 44 1HG1 ILE 44 -0.005 5.855 -12.635 285 HG21 ILE 44 1HG2 ILE 44 0.169 8.440 -10.026 286 HG22 ILE 44 2HG2 ILE 44 1.726 8.059 -10.761 287 HG23 ILE 44 3HG2 ILE 44 0.587 6.766 -10.389 288 HD11 ILE 44 3HD1 ILE 44 -1.035 6.129 -10.403 289 HD12 ILE 44 1HD1 ILE 44 -2.156 5.371 -11.535 290 HD13 ILE 44 2HD1 ILE 44 -2.336 7.077 -11.125 291 H CYS 45 H CYS 45 -1.388 10.131 -9.837 292 HA CYS 45 HA CYS 45 0.736 12.217 -10.125 293 HB2 CYS 45 HB2 CYS 45 -0.888 13.454 -8.424 294 HB3 CYS 45 HB1 CYS 45 -1.150 13.555 -10.164 295 H ARG 46 H ARG 46 -0.989 10.039 -7.918 296 HA ARG 46 HA ARG 46 1.392 10.122 -6.149 297 HB2 ARG 46 HB2 ARG 46 -0.238 11.774 -5.241 298 HB3 ARG 46 HB1 ARG 46 -1.440 10.489 -5.124 299 HG2 ARG 46 HG2 ARG 46 0.590 9.293 -3.818 300 HG3 ARG 46 HG1 ARG 46 0.978 10.977 -3.461 301 HD2 ARG 46 HD2 ARG 46 -1.638 11.087 -2.945 302 HD3 ARG 46 HD1 ARG 46 -1.402 9.366 -2.643 303 HE ARG 46 HE ARG 46 -0.333 9.972 -0.641 304 HH11 ARG 46 1HH2 ARG 46 -1.060 12.787 -2.337 305 HH12 ARG 46 2HH2 ARG 46 0.139 13.769 -1.561 306 HH21 ARG 46 1HH1 ARG 46 1.616 11.113 0.109 307 HH22 ARG 46 2HH1 ARG 46 1.653 12.822 -0.174 308 H ILE 47 H ILE 47 1.895 8.088 -5.431 309 HA ILE 47 HA ILE 47 -0.163 5.969 -5.855 310 HB ILE 47 HB ILE 47 2.448 6.170 -6.869 311 HG12 ILE 47 2HG1 ILE 47 0.862 3.612 -6.612 312 HG13 ILE 47 1HG1 ILE 47 0.365 4.924 -7.681 313 HG21 ILE 47 1HG2 ILE 47 2.295 4.087 -4.671 314 HG22 ILE 47 2HG2 ILE 47 3.429 5.435 -4.770 315 HG23 ILE 47 3HG2 ILE 47 3.526 4.113 -5.933 316 HD11 ILE 47 3HD1 ILE 47 3.194 4.315 -7.994 317 HD12 ILE 47 1HD1 ILE 47 1.923 4.371 -9.215 318 HD13 ILE 47 2HD1 ILE 47 2.191 2.894 -8.290 319 HA PRO 48 HA PRO 48 0.215 5.786 -1.384 320 HB2 PRO 48 HB2 PRO 48 -2.070 4.305 -1.027 321 HB3 PRO 48 HB1 PRO 48 -2.081 6.058 -1.289 322 HG2 PRO 48 HG2 PRO 48 -2.860 3.884 -3.161 323 HG3 PRO 48 HG1 PRO 48 -3.349 5.586 -3.153 324 HD2 PRO 48 HD2 PRO 48 -1.384 4.379 -4.844 325 HD3 PRO 48 HD1 PRO 48 -1.749 6.112 -4.701 326 H ARG 49 H ARG 49 -1.157 2.883 -2.945 327 HA ARG 49 HA ARG 49 1.138 1.217 -2.482 328 HB2 ARG 49 HB2 ARG 49 -0.145 1.668 -0.141 329 HB3 ARG 49 HB1 ARG 49 -1.082 0.296 -0.733 330 HG2 ARG 49 HG2 ARG 49 0.863 -0.420 0.644 331 HG3 ARG 49 HG1 ARG 49 0.962 -1.019 -1.012 332 HD2 ARG 49 HD2 ARG 49 2.913 0.054 -1.327 333 HD3 ARG 49 HD1 ARG 49 2.176 1.589 -0.868 334 HE ARG 49 HE ARG 49 2.953 1.251 1.380 335 HH11 ARG 49 1HH1 ARG 49 5.025 -0.117 -0.664 336 HH12 ARG 49 2HH1 ARG 49 5.541 -1.425 0.348 337 HH21 ARG 49 1HH2 ARG 49 3.002 -0.983 2.668 338 HH22 ARG 49 2HH2 ARG 49 4.393 -1.918 2.233 339 H LEU 50 H LEU 50 0.893 -0.642 -3.718 340 HA LEU 50 HA LEU 50 -1.205 -0.804 -5.603 341 HB2 LEU 50 HB2 LEU 50 0.604 -2.996 -4.573 342 HB3 LEU 50 HB1 LEU 50 -0.400 -3.117 -6.017 343 HG LEU 50 HG LEU 50 1.549 -2.409 -6.973 344 HD11 LEU 50 1HD1 LEU 50 0.352 0.214 -6.063 345 HD12 LEU 50 2HD1 LEU 50 -0.090 -0.679 -7.518 346 HD13 LEU 50 3HD1 LEU 50 1.515 0.038 -7.377 347 HD21 LEU 50 3HD2 LEU 50 2.271 -1.865 -4.323 348 HD22 LEU 50 1HD2 LEU 50 2.516 -0.348 -5.189 349 HD23 LEU 50 2HD2 LEU 50 3.332 -1.815 -5.732 350 H ASP 51 H ASP 51 -1.095 -1.823 -2.314 351 HA ASP 51 HA ASP 51 -3.362 -3.662 -2.565 352 HB2 ASP 51 HB2 ASP 51 -1.763 -3.964 -0.718 353 HB3 ASP 51 HB1 ASP 51 -2.109 -2.337 -0.132 354 H MET 52 H MET 52 -3.094 -0.481 -3.121 355 HA MET 52 HA MET 52 -5.898 0.042 -2.278 356 HB2 MET 52 HB2 MET 52 -3.460 1.404 -1.294 357 HB3 MET 52 HB1 MET 52 -4.747 2.484 -1.826 358 HG2 MET 52 HG2 MET 52 -5.972 0.400 -0.327 359 HG3 MET 52 HG1 MET 52 -4.584 0.962 0.604 360 HE1 MET 52 HE1 MET 52 -8.028 1.243 0.870 361 HE2 MET 52 HE2 MET 52 -7.945 2.626 1.959 362 HE3 MET 52 HE3 MET 52 -6.810 1.292 2.152 363 HA PRO 53 HA PRO 53 -6.127 2.020 -6.190 364 HB2 PRO 53 HB2 PRO 53 -7.637 4.259 -5.678 365 HB3 PRO 53 HB1 PRO 53 -8.304 2.618 -5.727 366 HG2 PRO 53 HG2 PRO 53 -7.706 4.337 -3.362 367 HG3 PRO 53 HG1 PRO 53 -8.938 3.077 -3.545 368 HD2 PRO 53 HD2 PRO 53 -6.498 2.774 -2.185 369 HD3 PRO 53 HD1 PRO 53 -7.527 1.442 -2.751 370 H ASP 54 H ASP 54 -4.805 3.338 -7.394 371 HA ASP 54 HA ASP 54 -2.869 5.048 -6.047 372 HB2 ASP 54 HB2 ASP 54 -3.420 4.797 -9.020 373 HB3 ASP 54 HB1 ASP 54 -1.944 5.398 -8.263 374 H ASP 55 H ASP 55 -2.645 7.201 -7.850 375 HA ASP 55 HA ASP 55 -5.269 8.599 -7.591 376 HB2 ASP 55 HB2 ASP 55 -2.681 9.275 -6.356 377 HB3 ASP 55 HB1 ASP 55 -3.434 10.615 -7.221 378 H ARG 56 H ARG 56 -5.866 9.134 -9.635 379 HA ARG 56 HA ARG 56 -3.714 9.779 -11.607 380 HB2 ARG 56 HB2 ARG 56 -6.505 8.668 -11.893 381 HB3 ARG 56 HB1 ARG 56 -5.681 9.412 -13.262 382 HG2 ARG 56 HG2 ARG 56 -3.701 7.804 -12.454 383 HG3 ARG 56 HG1 ARG 56 -5.060 6.869 -11.830 384 HD2 ARG 56 HD2 ARG 56 -4.439 7.617 -14.679 385 HD3 ARG 56 HD1 ARG 56 -4.811 6.029 -14.010 386 HE ARG 56 HE ARG 56 -6.955 8.086 -13.985 387 HH11 ARG 56 1HH1 ARG 56 -5.775 6.352 -16.470 388 HH12 ARG 56 2HH1 ARG 56 -7.129 5.290 -16.670 389 HH21 ARG 56 1HH2 ARG 56 -8.630 6.208 -13.682 390 HH22 ARG 56 2HH2 ARG 56 -8.745 5.209 -15.092 391 H CYS 57 H CYS 57 -4.031 11.635 -12.989 392 HA CYS 57 HA CYS 57 -5.500 13.811 -11.646 393 HB2 CYS 57 HB2 CYS 57 -3.752 13.818 -14.127 394 HB3 CYS 57 HB1 CYS 57 -4.422 15.254 -13.354 395 H THR 58 H THR 58 -7.252 14.928 -12.582 396 HA THR 58 HA THR 58 -8.889 13.381 -14.423 397 HB THR 58 HB THR 58 -10.513 15.178 -14.172 398 HG1 THR 58 HG1 THR 58 -8.865 16.680 -12.540 399 HG21 THR 58 3HG2 THR 58 -10.540 15.335 -11.630 400 HG22 THR 58 1HG2 THR 58 -9.009 14.458 -11.651 401 HG23 THR 58 2HG2 THR 58 -10.467 13.701 -12.293 402 H GLY 59 H GLY 59 -6.258 15.328 -14.954 403 HA2 GLY 59 HA2 GLY 59 -5.408 15.906 -17.116 404 HA3 GLY 59 HA1 GLY 59 -7.027 15.696 -17.783 405 H GLN 60 H GLN 60 -8.178 17.368 -15.564 406 HA GLN 60 HA GLN 60 -7.439 20.012 -16.729 407 HB2 GLN 60 HB2 GLN 60 -9.947 18.900 -15.499 408 HB3 GLN 60 HB1 GLN 60 -9.670 20.642 -15.492 409 HG2 GLN 60 HG2 GLN 60 -9.390 19.010 -18.016 410 HG3 GLN 60 HG1 GLN 60 -10.946 19.668 -17.510 411 HE21 GLN 60 1HE2 GLN 60 -9.912 20.637 -19.900 412 HE22 GLN 60 2HE2 GLN 60 -9.349 22.226 -19.697 413 H SER 61 H SER 61 -7.355 18.124 -13.837 414 HA SER 61 HA SER 61 -6.931 20.508 -12.129 415 HB2 SER 61 HB2 SER 61 -6.700 17.624 -11.264 416 HB3 SER 61 HB1 SER 61 -7.063 19.034 -10.273 417 HG SER 61 HG SER 61 -8.945 19.160 -11.895 418 H ALA 62 H ALA 62 -4.898 21.357 -12.326 419 HA ALA 62 HA ALA 62 -2.600 19.974 -13.245 420 HB1 ALA 62 HB1 ALA 62 -1.357 21.850 -11.953 421 HB2 ALA 62 HB2 ALA 62 -2.968 22.460 -11.577 422 HB3 ALA 62 HB3 ALA 62 -2.445 22.331 -13.256 423 H ASP 63 H ASP 63 -3.478 20.805 -9.870 424 HA ASP 63 HA ASP 63 -1.378 19.059 -8.827 425 HB2 ASP 63 HB2 ASP 63 -3.686 20.238 -7.268 426 HB3 ASP 63 HB1 ASP 63 -2.097 19.769 -6.664 427 H CYS 64 H CYS 64 -2.145 17.405 -7.059 428 HA CYS 64 HA CYS 64 -4.429 15.851 -8.206 429 HB2 CYS 64 HB2 CYS 64 -2.131 14.844 -8.510 430 HB3 CYS 64 HB1 CYS 64 -2.017 14.729 -6.754 431 HA PRO 65 HA PRO 65 -6.012 16.607 -4.134 432 HB2 PRO 65 HB2 PRO 65 -8.514 15.698 -4.768 433 HB3 PRO 65 HB1 PRO 65 -7.958 17.332 -5.129 434 HG2 PRO 65 HG2 PRO 65 -8.379 15.022 -6.956 435 HG3 PRO 65 HG1 PRO 65 -8.397 16.756 -7.318 436 HD2 PRO 65 HD2 PRO 65 -6.276 14.967 -7.858 437 HD3 PRO 65 HD1 PRO 65 -6.192 16.741 -7.917 438 H ARG 66 H ARG 66 -7.678 15.016 -2.802 439 HA ARG 66 HA ARG 66 -6.231 12.450 -2.650 440 HB2 ARG 66 HB2 ARG 66 -6.620 13.563 -0.545 441 HB3 ARG 66 HB1 ARG 66 -8.343 13.720 -0.891 442 HG2 ARG 66 HG2 ARG 66 -8.759 11.653 -0.100 443 HG3 ARG 66 HG1 ARG 66 -7.505 10.954 -1.125 444 HD2 ARG 66 HD2 ARG 66 -5.874 12.037 0.643 445 HD3 ARG 66 HD1 ARG 66 -7.295 11.980 1.687 446 HE ARG 66 HE ARG 66 -7.002 9.428 0.465 447 HH11 ARG 66 1HH1 ARG 66 -4.168 10.524 1.296 448 HH12 ARG 66 2HH1 ARG 66 -3.983 9.703 2.810 449 HH21 ARG 66 1HH2 ARG 66 -7.321 8.790 3.023 450 HH22 ARG 66 2HH2 ARG 66 -5.769 8.722 3.789 451 H TYR 67 H TYR 67 -9.597 12.567 -1.775 452 HA TYR 67 HA TYR 67 -10.439 11.236 -4.267 453 HB2 TYR 67 HB2 TYR 67 -9.452 9.472 -2.687 454 HB3 TYR 67 HB1 TYR 67 -10.835 9.795 -1.640 455 HD1 TYR 67 HD1 TYR 67 -9.946 8.890 -5.161 456 HD2 TYR 67 HD2 TYR 67 -12.907 8.758 -2.049 457 HE1 TYR 67 HE1 TYR 67 -11.362 7.418 -6.569 458 HE2 TYR 67 HE2 TYR 67 -14.321 7.286 -3.459 459 HH TYR 67 HH TYR 67 -13.654 5.545 -5.546 460 H HIS 68 H HIS 68 -11.297 13.684 -3.353 461 HA HIS 68 HA HIS 68 -14.143 13.282 -3.133 462 HB2 HIS 68 HB2 HIS 68 -13.338 12.806 -0.762 463 HB3 HIS 68 HB1 HIS 68 -12.848 14.498 -0.681 464 HD1 HIS 68 HD1 HIS 68 -15.597 12.461 0.212 465 HD2 HIS 68 HD2 HIS 68 -15.290 16.192 -1.624 466 HE1 HIS 68 HE1 HIS 68 -17.849 13.585 0.491 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -4.351 28.485 1.428 2 H2 GLY 1 HT2 GLY 1 -3.627 26.952 1.534 3 H3 GLY 1 HT3 GLY 1 -4.557 27.547 2.825 4 HA2 GLY 1 HA1 GLY 1 -5.403 26.303 0.341 5 HA3 GLY 1 HA2 GLY 1 -6.162 26.273 1.933 6 H LYS 2 H LYS 2 -6.604 28.860 2.546 7 HA LYS 2 HA LYS 2 -8.620 29.641 0.541 8 HB2 LYS 2 HB2 LYS 2 -7.961 30.660 3.317 9 HB3 LYS 2 HB1 LYS 2 -9.212 31.372 2.297 10 HG2 LYS 2 HG2 LYS 2 -9.429 28.462 2.437 11 HG3 LYS 2 HG1 LYS 2 -9.551 29.217 4.026 12 HD2 LYS 2 HD2 LYS 2 -11.303 30.728 3.192 13 HD3 LYS 2 HD1 LYS 2 -11.172 30.007 1.587 14 HE2 LYS 2 HE2 LYS 2 -11.522 27.937 3.573 15 HE3 LYS 2 HE1 LYS 2 -12.807 29.136 3.719 16 HZ1 LYS 2 HZ1 LYS 2 -12.309 27.232 1.627 17 HZ2 LYS 2 HZ2 LYS 2 -12.569 28.806 1.043 18 HZ3 LYS 2 HZ3 LYS 2 -13.736 28.057 2.023 19 H GLU 3 H GLU 3 -5.974 31.303 2.302 20 HA GLU 3 HA GLU 3 -5.749 33.129 -0.059 21 HB2 GLU 3 HB2 GLU 3 -6.094 33.716 2.710 22 HB3 GLU 3 HB1 GLU 3 -4.465 34.221 2.258 23 HG2 GLU 3 HG2 GLU 3 -7.038 35.006 0.859 24 HG3 GLU 3 HG1 GLU 3 -6.024 36.057 1.846 25 H CYS 4 H CYS 4 -4.254 30.611 1.553 26 HA CYS 4 HA CYS 4 -1.539 31.558 0.746 27 HB2 CYS 4 HB2 CYS 4 -2.362 29.405 2.715 28 HB3 CYS 4 HB1 CYS 4 -0.696 29.765 2.268 29 H ASP 5 H ASP 5 -1.230 30.854 -1.331 30 HA ASP 5 HA ASP 5 -2.071 28.073 -2.008 31 HB2 ASP 5 HB2 ASP 5 -2.722 30.157 -3.423 32 HB3 ASP 5 HB1 ASP 5 -1.045 30.123 -3.969 33 H CYS 6 H CYS 6 0.501 29.421 -0.661 34 HA CYS 6 HA CYS 6 2.349 27.415 -1.709 35 HB2 CYS 6 HB2 CYS 6 2.843 28.936 -3.420 36 HB3 CYS 6 HB1 CYS 6 2.572 30.330 -2.384 37 H SER 7 H SER 7 3.296 26.700 0.146 38 HA SER 7 HA SER 7 3.582 28.607 2.414 39 HB2 SER 7 HB2 SER 7 3.658 25.585 2.260 40 HB3 SER 7 HB1 SER 7 4.063 26.483 3.720 41 HG SER 7 HG SER 7 1.921 27.533 3.318 42 H SER 8 H SER 8 5.408 27.462 -0.120 43 HA SER 8 HA SER 8 7.912 27.025 1.310 44 HB2 SER 8 HB2 SER 8 7.012 26.361 -1.193 45 HB3 SER 8 HB1 SER 8 8.065 27.726 -1.548 46 HG SER 8 HG SER 8 9.694 26.471 -1.163 47 HA PRO 9 HA PRO 9 8.712 31.409 1.556 48 HB2 PRO 9 HB2 PRO 9 11.095 31.155 2.903 49 HB3 PRO 9 HB1 PRO 9 9.510 31.023 3.685 50 HG2 PRO 9 HG2 PRO 9 11.451 28.865 3.002 51 HG3 PRO 9 HG1 PRO 9 10.221 28.906 4.277 52 HD2 PRO 9 HD2 PRO 9 10.004 27.544 1.804 53 HD3 PRO 9 HD1 PRO 9 8.676 27.868 2.940 54 H GLU 10 H GLU 10 10.096 29.191 -0.441 55 HA GLU 10 HA GLU 10 12.238 31.064 -1.364 56 HB2 GLU 10 HB2 GLU 10 12.440 28.377 -0.793 57 HB3 GLU 10 HB1 GLU 10 12.184 28.365 -2.537 58 HG2 GLU 10 HG2 GLU 10 14.004 30.459 -2.061 59 HG3 GLU 10 HG1 GLU 10 14.552 29.118 -1.055 60 H ASN 11 H ASN 11 9.476 29.099 -2.396 61 HA ASN 11 HA ASN 11 9.530 29.446 -5.155 62 HB2 ASN 11 HB2 ASN 11 7.603 28.706 -3.228 63 HB3 ASN 11 HB1 ASN 11 6.858 29.975 -4.198 64 HD21 ASN 11 1HD2 ASN 11 6.525 26.886 -4.157 65 HD22 ASN 11 2HD2 ASN 11 6.683 26.449 -5.789 66 HA PRO 12 HA PRO 12 9.451 33.929 -5.258 67 HB2 PRO 12 HB2 PRO 12 9.971 34.106 -7.951 68 HB3 PRO 12 HB1 PRO 12 11.222 33.830 -6.727 69 HG2 PRO 12 HG2 PRO 12 10.031 31.899 -8.661 70 HG3 PRO 12 HG1 PRO 12 11.630 31.882 -7.901 71 HD2 PRO 12 HD2 PRO 12 9.411 30.301 -7.130 72 HD3 PRO 12 HD1 PRO 12 10.899 30.545 -6.189 73 H CYS 13 H CYS 13 7.510 31.708 -7.140 74 HA CYS 13 HA CYS 13 5.861 33.675 -8.457 75 HB2 CYS 13 HB2 CYS 13 5.744 30.741 -7.971 76 HB3 CYS 13 HB1 CYS 13 4.218 31.549 -8.324 77 H CYS 14 H CYS 14 5.810 32.205 -5.267 78 HA CYS 14 HA CYS 14 3.210 33.546 -4.727 79 HB2 CYS 14 HB2 CYS 14 3.076 32.143 -2.741 80 HB3 CYS 14 HB1 CYS 14 3.390 31.142 -4.157 81 H ASP 15 H ASP 15 2.987 34.969 -2.967 82 HA ASP 15 HA ASP 15 5.548 36.199 -2.068 83 HB2 ASP 15 HB2 ASP 15 2.747 37.229 -2.458 84 HB3 ASP 15 HB1 ASP 15 3.849 38.066 -1.361 85 H ALA 16 H ALA 16 6.045 36.204 0.100 86 HA ALA 16 HA ALA 16 4.588 34.476 1.885 87 HB1 ALA 16 HB1 ALA 16 6.662 36.581 2.568 88 HB2 ALA 16 HB2 ALA 16 7.034 34.930 2.072 89 HB3 ALA 16 HB3 ALA 16 6.176 35.225 3.585 90 H ALA 17 H ALA 17 4.524 37.929 1.254 91 HA ALA 17 HA ALA 17 3.259 38.862 3.596 92 HB1 ALA 17 HB1 ALA 17 2.323 39.899 0.949 93 HB2 ALA 17 HB2 ALA 17 4.028 40.086 1.358 94 HB3 ALA 17 HB3 ALA 17 2.790 40.788 2.399 95 H THR 18 H THR 18 1.820 37.393 0.686 96 HA THR 18 HA THR 18 -0.679 36.997 2.282 97 HB THR 18 HB THR 18 -1.136 38.639 0.550 98 HG1 THR 18 HG1 THR 18 -2.742 37.516 -0.526 99 HG21 THR 18 3HG2 THR 18 0.345 36.665 -1.169 100 HG22 THR 18 1HG2 THR 18 0.575 38.408 -1.033 101 HG23 THR 18 2HG2 THR 18 -0.826 37.768 -1.892 102 H CYS 19 H CYS 19 1.828 35.328 1.576 103 HA CYS 19 HA CYS 19 2.329 33.174 0.751 104 HB2 CYS 19 HB2 CYS 19 0.658 31.469 1.699 105 HB3 CYS 19 HB1 CYS 19 1.461 32.523 2.858 106 H LYS 20 H LYS 20 0.877 34.803 -1.192 107 HA LYS 20 HA LYS 20 -0.415 32.562 -2.691 108 HB2 LYS 20 HB2 LYS 20 -1.622 35.045 -1.816 109 HB3 LYS 20 HB1 LYS 20 -1.651 34.924 -3.576 110 HG2 LYS 20 HG2 LYS 20 -2.407 32.525 -1.950 111 HG3 LYS 20 HG1 LYS 20 -3.577 33.834 -2.124 112 HD2 LYS 20 HD2 LYS 20 -3.194 33.705 -4.628 113 HD3 LYS 20 HD1 LYS 20 -2.272 32.231 -4.336 114 HE2 LYS 20 HE2 LYS 20 -4.601 31.683 -4.896 115 HE3 LYS 20 HE1 LYS 20 -4.247 31.226 -3.230 116 HZ1 LYS 20 HZ1 LYS 20 -5.127 33.909 -3.343 117 HZ2 LYS 20 HZ2 LYS 20 -5.808 32.595 -2.508 118 HZ3 LYS 20 HZ3 LYS 20 -6.255 32.906 -4.117 119 H LEU 21 H LEU 21 -0.705 33.446 -5.132 120 HA LEU 21 HA LEU 21 2.027 34.218 -5.932 121 HB2 LEU 21 HB2 LEU 21 -0.144 33.728 -7.927 122 HB3 LEU 21 HB1 LEU 21 1.565 33.299 -7.997 123 HG LEU 21 HG LEU 21 0.745 31.853 -5.830 124 HD11 LEU 21 1HD1 LEU 21 -1.429 31.200 -7.735 125 HD12 LEU 21 2HD1 LEU 21 -1.642 32.695 -6.823 126 HD13 LEU 21 3HD1 LEU 21 -1.429 31.166 -5.971 127 HD21 LEU 21 3HD2 LEU 21 1.781 31.376 -8.350 128 HD22 LEU 21 1HD2 LEU 21 0.286 30.439 -8.358 129 HD23 LEU 21 2HD2 LEU 21 1.503 30.148 -7.114 130 H ARG 22 H ARG 22 2.575 36.182 -6.705 131 HA ARG 22 HA ARG 22 0.540 38.301 -6.650 132 HB2 ARG 22 HB2 ARG 22 3.254 38.194 -6.068 133 HB3 ARG 22 HB1 ARG 22 3.191 39.083 -7.589 134 HG2 ARG 22 HG2 ARG 22 2.963 40.710 -5.839 135 HG3 ARG 22 HG1 ARG 22 1.362 40.509 -6.553 136 HD2 ARG 22 HD2 ARG 22 0.589 39.204 -4.737 137 HD3 ARG 22 HD1 ARG 22 2.225 38.883 -4.161 138 HE ARG 22 HE ARG 22 1.686 41.710 -4.099 139 HH11 ARG 22 1HH1 ARG 22 -0.664 40.034 -2.842 140 HH12 ARG 22 2HH1 ARG 22 -0.233 40.156 -1.168 141 HH21 ARG 22 1HH2 ARG 22 2.975 41.307 -1.807 142 HH22 ARG 22 2HH2 ARG 22 1.827 40.877 -0.583 143 HA PRO 23 HA PRO 23 1.862 38.594 -11.230 144 HB2 PRO 23 HB2 PRO 23 3.370 36.534 -12.255 145 HB3 PRO 23 HB1 PRO 23 4.060 37.998 -11.537 146 HG2 PRO 23 HG2 PRO 23 3.918 35.247 -10.407 147 HG3 PRO 23 HG1 PRO 23 5.060 36.552 -10.046 148 HD2 PRO 23 HD2 PRO 23 2.840 35.776 -8.462 149 HD3 PRO 23 HD1 PRO 23 3.817 37.246 -8.250 150 H GLY 24 H GLY 24 1.533 37.007 -13.348 151 HA2 GLY 24 HA2 GLY 24 -1.103 35.885 -12.987 152 HA3 GLY 24 HA1 GLY 24 -0.154 35.818 -14.470 153 H ALA 25 H ALA 25 -0.343 34.325 -11.224 154 HA ALA 25 HA ALA 25 0.569 31.780 -12.508 155 HB1 ALA 25 HB1 ALA 25 1.137 32.806 -9.713 156 HB2 ALA 25 HB2 ALA 25 2.314 32.588 -11.007 157 HB3 ALA 25 HB3 ALA 25 1.537 31.184 -10.275 158 H GLN 26 H GLN 26 -0.416 29.836 -11.586 159 HA GLN 26 HA GLN 26 -3.136 30.412 -10.533 160 HB2 GLN 26 HB2 GLN 26 -1.936 28.323 -12.232 161 HB3 GLN 26 HB1 GLN 26 -3.079 27.715 -11.034 162 HG2 GLN 26 HG2 GLN 26 -4.199 28.320 -13.171 163 HG3 GLN 26 HG1 GLN 26 -4.783 29.287 -11.817 164 HE21 GLN 26 1HE2 GLN 26 -2.392 29.404 -14.505 165 HE22 GLN 26 2HE2 GLN 26 -2.456 31.092 -14.687 166 H CYS 27 H CYS 27 -0.396 28.191 -9.915 167 HA CYS 27 HA CYS 27 -1.071 28.312 -7.029 168 HB2 CYS 27 HB2 CYS 27 -0.654 25.738 -7.019 169 HB3 CYS 27 HB1 CYS 27 -2.237 26.333 -7.519 170 H GLY 28 H GLY 28 0.761 28.222 -5.743 171 HA2 GLY 28 HA2 GLY 28 3.342 28.315 -7.146 172 HA3 GLY 28 HA1 GLY 28 3.085 28.627 -5.430 173 H GLU 29 H GLU 29 1.646 26.194 -4.867 174 HA GLU 29 HA GLU 29 3.658 24.087 -5.500 175 HB2 GLU 29 HB2 GLU 29 3.976 25.262 -3.195 176 HB3 GLU 29 HB1 GLU 29 2.535 24.363 -2.717 177 HG2 GLU 29 HG2 GLU 29 3.746 22.487 -2.458 178 HG3 GLU 29 HG1 GLU 29 4.331 22.604 -4.119 179 H GLY 30 H GLY 30 2.779 21.875 -4.970 180 HA2 GLY 30 HA2 GLY 30 0.326 21.051 -4.184 181 HA3 GLY 30 HA1 GLY 30 -0.058 21.752 -5.756 182 H LEU 31 H LEU 31 -0.302 18.950 -5.054 183 HA LEU 31 HA LEU 31 1.918 17.419 -6.033 184 HB2 LEU 31 HB2 LEU 31 -1.008 16.872 -5.613 185 HB3 LEU 31 HB1 LEU 31 -0.010 15.691 -6.461 186 HG LEU 31 HG LEU 31 1.492 16.474 -4.211 187 HD11 LEU 31 1HD1 LEU 31 -0.123 15.878 -2.376 188 HD12 LEU 31 2HD1 LEU 31 -1.426 15.976 -3.559 189 HD13 LEU 31 3HD1 LEU 31 -0.483 17.414 -3.166 190 HD21 LEU 31 3HD2 LEU 31 1.626 14.256 -5.038 191 HD22 LEU 31 1HD2 LEU 31 -0.122 14.037 -4.969 192 HD23 LEU 31 2HD2 LEU 31 0.819 14.087 -3.479 193 H CYS 32 H CYS 32 -0.675 19.134 -7.634 194 HA CYS 32 HA CYS 32 0.361 18.088 -10.239 195 HB2 CYS 32 HB2 CYS 32 -2.454 19.098 -9.870 196 HB3 CYS 32 HB1 CYS 32 -1.816 18.042 -11.131 197 H CYS 33 H CYS 33 1.462 20.372 -8.982 198 HA CYS 33 HA CYS 33 0.491 22.500 -10.843 199 HB2 CYS 33 HB2 CYS 33 -0.154 22.957 -8.454 200 HB3 CYS 33 HB1 CYS 33 1.562 22.983 -8.047 201 H GLU 34 H GLU 34 2.088 23.245 -12.154 202 HA GLU 34 HA GLU 34 4.907 23.049 -11.215 203 HB2 GLU 34 HB2 GLU 34 4.000 22.158 -13.966 204 HB3 GLU 34 HB1 GLU 34 5.625 22.038 -13.292 205 HG2 GLU 34 HG2 GLU 34 4.461 20.651 -11.401 206 HG3 GLU 34 HG1 GLU 34 3.170 20.453 -12.587 207 H GLN 35 H GLN 35 6.240 24.693 -12.031 208 HA GLN 35 HA GLN 35 6.743 26.786 -12.961 209 HB2 GLN 35 HB2 GLN 35 5.316 25.305 -14.974 210 HB3 GLN 35 HB1 GLN 35 4.854 27.006 -15.066 211 HG2 GLN 35 HG2 GLN 35 7.316 27.584 -14.999 212 HG3 GLN 35 HG1 GLN 35 7.658 25.863 -15.169 213 HE21 GLN 35 1HE2 GLN 35 5.100 27.843 -16.754 214 HE22 GLN 35 2HE2 GLN 35 5.605 27.496 -18.337 215 H CYS 36 H CYS 36 4.609 26.490 -10.920 216 HA CYS 36 HA CYS 36 3.195 28.008 -9.811 217 HB2 CYS 36 HB2 CYS 36 3.507 29.885 -12.155 218 HB3 CYS 36 HB1 CYS 36 3.179 30.284 -10.465 219 H LYS 37 H LYS 37 2.507 26.204 -12.295 220 HA LYS 37 HA LYS 37 -0.281 27.250 -12.538 221 HB2 LYS 37 HB2 LYS 37 1.492 26.108 -14.713 222 HB3 LYS 37 HB1 LYS 37 -0.254 26.290 -14.888 223 HG2 LYS 37 HG2 LYS 37 -0.044 28.713 -14.436 224 HG3 LYS 37 HG1 LYS 37 1.704 28.526 -14.286 225 HD2 LYS 37 HD2 LYS 37 1.857 28.839 -16.509 226 HD3 LYS 37 HD1 LYS 37 1.030 27.296 -16.725 227 HE2 LYS 37 HE2 LYS 37 -0.611 28.484 -17.730 228 HE3 LYS 37 HE1 LYS 37 -1.040 29.034 -16.111 229 HZ1 LYS 37 HZ1 LYS 37 0.732 30.801 -16.483 230 HZ2 LYS 37 HZ2 LYS 37 -0.732 30.978 -17.326 231 HZ3 LYS 37 HZ3 LYS 37 0.645 30.386 -18.126 232 H PHE 38 H PHE 38 -1.843 25.479 -13.121 233 HA PHE 38 HA PHE 38 -1.454 23.192 -11.412 234 HB2 PHE 38 HB2 PHE 38 -3.508 23.581 -13.612 235 HB3 PHE 38 HB1 PHE 38 -3.610 22.430 -12.279 236 HD1 PHE 38 HD1 PHE 38 -3.117 23.634 -9.871 237 HD2 PHE 38 HD2 PHE 38 -4.761 25.521 -13.362 238 HE1 PHE 38 HE1 PHE 38 -4.151 25.377 -8.442 239 HE2 PHE 38 HE2 PHE 38 -5.796 27.265 -11.931 240 HZ PHE 38 HZ PHE 38 -5.490 27.192 -9.471 241 H SER 39 H SER 39 -2.259 20.970 -12.748 242 HA SER 39 HA SER 39 -0.036 20.561 -14.697 243 HB2 SER 39 HB2 SER 39 -0.049 18.258 -14.065 244 HB3 SER 39 HB1 SER 39 -0.193 19.162 -12.560 245 HG SER 39 HG SER 39 -2.601 18.913 -13.153 246 H ARG 40 H ARG 40 -2.050 17.960 -15.027 247 HA ARG 40 HA ARG 40 -3.729 19.311 -17.090 248 HB2 ARG 40 HB2 ARG 40 -1.724 17.167 -17.422 249 HB3 ARG 40 HB1 ARG 40 -3.280 16.842 -18.188 250 HG2 ARG 40 HG2 ARG 40 -2.358 18.062 -19.894 251 HG3 ARG 40 HG1 ARG 40 -2.947 19.418 -18.932 252 HD2 ARG 40 HD2 ARG 40 -0.804 19.796 -17.964 253 HD3 ARG 40 HD1 ARG 40 -0.191 18.242 -18.530 254 HE ARG 40 HE ARG 40 -1.008 19.879 -20.759 255 HH11 ARG 40 1HH1 ARG 40 1.574 18.194 -20.037 256 HH12 ARG 40 2HH1 ARG 40 2.772 19.425 -20.259 257 HH21 ARG 40 1HH2 ARG 40 0.475 22.022 -20.327 258 HH22 ARG 40 2HH2 ARG 40 2.150 21.592 -20.422 259 H ALA 41 H ALA 41 -5.690 18.052 -17.635 260 HA ALA 41 HA ALA 41 -6.990 17.019 -15.294 261 HB1 ALA 41 HB1 ALA 41 -8.613 16.121 -17.217 262 HB2 ALA 41 HB2 ALA 41 -7.658 17.233 -18.199 263 HB3 ALA 41 HB3 ALA 41 -8.543 17.834 -16.798 264 H GLY 42 H GLY 42 -6.715 15.038 -14.407 265 HA2 GLY 42 HA2 GLY 42 -6.649 12.657 -14.386 266 HA3 GLY 42 HA1 GLY 42 -6.460 12.670 -16.138 267 H LYS 43 H LYS 43 -4.550 14.286 -13.595 268 HA LYS 43 HA LYS 43 -2.120 13.032 -14.788 269 HB2 LYS 43 HB2 LYS 43 -1.863 15.395 -14.714 270 HB3 LYS 43 HB1 LYS 43 -2.559 15.499 -13.097 271 HG2 LYS 43 HG2 LYS 43 -0.137 15.754 -12.939 272 HG3 LYS 43 HG1 LYS 43 -0.605 14.214 -12.216 273 HD2 LYS 43 HD2 LYS 43 0.918 13.260 -13.584 274 HD3 LYS 43 HD1 LYS 43 -0.216 13.583 -14.896 275 HE2 LYS 43 HE2 LYS 43 1.273 14.999 -15.806 276 HE3 LYS 43 HE1 LYS 43 1.156 16.016 -14.370 277 HZ1 LYS 43 HZ1 LYS 43 2.948 14.949 -13.375 278 HZ2 LYS 43 HZ2 LYS 43 3.432 15.089 -14.998 279 HZ3 LYS 43 HZ3 LYS 43 2.859 13.604 -14.403 280 H ILE 44 H ILE 44 -1.117 11.429 -13.649 281 HA ILE 44 HA ILE 44 -2.192 10.392 -11.225 282 HB ILE 44 HB ILE 44 0.455 10.040 -12.628 283 HG12 ILE 44 2HG1 ILE 44 -1.730 9.042 -13.483 284 HG13 ILE 44 1HG1 ILE 44 -0.431 7.884 -13.192 285 HG21 ILE 44 1HG2 ILE 44 -0.464 8.750 -10.041 286 HG22 ILE 44 2HG2 ILE 44 0.952 9.780 -10.257 287 HG23 ILE 44 3HG2 ILE 44 0.900 8.183 -11.005 288 HD11 ILE 44 3HD1 ILE 44 -1.398 7.440 -10.926 289 HD12 ILE 44 1HD1 ILE 44 -2.492 7.004 -12.239 290 HD13 ILE 44 2HD1 ILE 44 -2.749 8.497 -11.336 291 H CYS 45 H CYS 45 -1.938 11.064 -9.159 292 HA CYS 45 HA CYS 45 0.233 13.047 -8.599 293 HB2 CYS 45 HB2 CYS 45 -1.390 13.649 -6.631 294 HB3 CYS 45 HB1 CYS 45 -1.742 14.253 -8.249 295 H ARG 46 H ARG 46 -1.484 10.183 -7.443 296 HA ARG 46 HA ARG 46 0.811 9.675 -5.626 297 HB2 ARG 46 HB2 ARG 46 -2.110 9.689 -4.839 298 HB3 ARG 46 HB1 ARG 46 -0.869 8.875 -3.887 299 HG2 ARG 46 HG2 ARG 46 -0.219 10.825 -2.972 300 HG3 ARG 46 HG1 ARG 46 0.004 11.544 -4.568 301 HD2 ARG 46 HD2 ARG 46 -1.670 12.849 -3.425 302 HD3 ARG 46 HD1 ARG 46 -2.496 11.896 -4.658 303 HE ARG 46 HE ARG 46 -3.248 10.373 -2.858 304 HH11 ARG 46 1HH1 ARG 46 -4.022 13.321 -2.240 305 HH12 ARG 46 2HH1 ARG 46 -3.711 13.364 -0.536 306 HH21 ARG 46 1HH2 ARG 46 -1.874 10.422 -0.530 307 HH22 ARG 46 2HH2 ARG 46 -2.495 11.721 0.432 308 H ILE 47 H ILE 47 1.257 7.480 -5.338 309 HA ILE 47 HA ILE 47 -0.561 5.523 -6.642 310 HB ILE 47 HB ILE 47 1.149 6.185 -8.319 311 HG12 ILE 47 2HG1 ILE 47 2.218 3.554 -7.790 312 HG13 ILE 47 1HG1 ILE 47 0.489 3.581 -7.441 313 HG21 ILE 47 1HG2 ILE 47 2.833 6.533 -6.268 314 HG22 ILE 47 2HG2 ILE 47 3.412 6.169 -7.894 315 HG23 ILE 47 3HG2 ILE 47 3.285 4.882 -6.694 316 HD11 ILE 47 3HD1 ILE 47 0.031 4.529 -9.654 317 HD12 ILE 47 1HD1 ILE 47 0.940 3.027 -9.820 318 HD13 ILE 47 2HD1 ILE 47 1.758 4.579 -10.008 319 HA PRO 48 HA PRO 48 0.907 4.035 -2.592 320 HB2 PRO 48 HB2 PRO 48 -1.528 2.960 -1.899 321 HB3 PRO 48 HB1 PRO 48 -1.085 4.651 -1.615 322 HG2 PRO 48 HG2 PRO 48 -2.909 3.510 -3.683 323 HG3 PRO 48 HG1 PRO 48 -2.919 5.119 -2.942 324 HD2 PRO 48 HD2 PRO 48 -1.917 4.489 -5.507 325 HD3 PRO 48 HD1 PRO 48 -1.622 5.997 -4.616 326 H ARG 49 H ARG 49 1.952 2.089 -2.542 327 HA ARG 49 HA ARG 49 0.972 -0.097 -4.307 328 HB2 ARG 49 HB2 ARG 49 3.563 0.891 -3.617 329 HB3 ARG 49 HB1 ARG 49 3.436 -0.760 -3.008 330 HG2 ARG 49 HG2 ARG 49 4.239 -0.899 -5.275 331 HG3 ARG 49 HG1 ARG 49 2.557 -1.431 -5.284 332 HD2 ARG 49 HD2 ARG 49 1.884 0.900 -5.926 333 HD3 ARG 49 HD1 ARG 49 3.595 1.305 -6.072 334 HE ARG 49 HE ARG 49 3.681 -0.529 -7.846 335 HH11 ARG 49 1HH1 ARG 49 0.540 -0.485 -6.874 336 HH12 ARG 49 2HH1 ARG 49 -0.150 -0.090 -8.414 337 HH21 ARG 49 1HH2 ARG 49 2.898 0.651 -9.888 338 HH22 ARG 49 2HH2 ARG 49 1.184 0.551 -10.119 339 H LEU 50 H LEU 50 -0.430 0.474 -1.852 340 HA LEU 50 HA LEU 50 0.172 -2.052 -0.375 341 HB2 LEU 50 HB2 LEU 50 -0.845 -0.810 1.653 342 HB3 LEU 50 HB1 LEU 50 0.803 -0.405 1.188 343 HG LEU 50 HG LEU 50 -0.681 1.579 1.692 344 HD11 LEU 50 1HD1 LEU 50 1.220 1.192 -0.342 345 HD12 LEU 50 2HD1 LEU 50 0.730 2.726 0.377 346 HD13 LEU 50 3HD1 LEU 50 -0.072 2.136 -1.079 347 HD21 LEU 50 3HD2 LEU 50 -2.739 0.642 0.646 348 HD22 LEU 50 1HD2 LEU 50 -1.981 0.799 -0.937 349 HD23 LEU 50 2HD2 LEU 50 -2.333 2.238 0.017 350 H ASP 51 H ASP 51 -1.597 -1.930 -2.531 351 HA ASP 51 HA ASP 51 -3.726 -2.833 -2.980 352 HB2 ASP 51 HB2 ASP 51 -4.480 -2.460 -0.087 353 HB3 ASP 51 HB1 ASP 51 -5.064 -3.667 -1.233 354 H MET 52 H MET 52 -3.218 -0.171 -3.458 355 HA MET 52 HA MET 52 -5.889 1.014 -2.926 356 HB2 MET 52 HB2 MET 52 -3.221 2.284 -2.301 357 HB3 MET 52 HB1 MET 52 -4.670 3.252 -2.572 358 HG2 MET 52 HG2 MET 52 -4.509 1.007 -0.544 359 HG3 MET 52 HG1 MET 52 -4.239 2.705 -0.147 360 HE1 MET 52 HE1 MET 52 -6.477 2.802 1.654 361 HE2 MET 52 HE2 MET 52 -7.390 4.003 0.746 362 HE3 MET 52 HE3 MET 52 -5.629 4.019 0.691 363 HA PRO 53 HA PRO 53 -5.535 2.105 -7.168 364 HB2 PRO 53 HB2 PRO 53 -7.386 4.135 -7.233 365 HB3 PRO 53 HB1 PRO 53 -7.818 2.419 -7.134 366 HG2 PRO 53 HG2 PRO 53 -7.899 4.502 -4.999 367 HG3 PRO 53 HG1 PRO 53 -8.865 3.025 -5.165 368 HD2 PRO 53 HD2 PRO 53 -6.647 3.365 -3.442 369 HD3 PRO 53 HD1 PRO 53 -7.406 1.818 -3.879 370 H ASP 54 H ASP 54 -4.558 3.682 -8.525 371 HA ASP 54 HA ASP 54 -2.836 5.619 -7.208 372 HB2 ASP 54 HB2 ASP 54 -3.424 5.505 -10.171 373 HB3 ASP 54 HB1 ASP 54 -1.942 6.032 -9.373 374 H ASP 55 H ASP 55 -3.181 7.821 -6.989 375 HA ASP 55 HA ASP 55 -5.890 8.800 -7.620 376 HB2 ASP 55 HB2 ASP 55 -3.555 10.073 -6.163 377 HB3 ASP 55 HB1 ASP 55 -5.129 10.839 -6.374 378 H ARG 56 H ARG 56 -6.324 10.509 -9.048 379 HA ARG 56 HA ARG 56 -4.033 11.375 -10.771 380 HB2 ARG 56 HB2 ARG 56 -6.433 9.975 -11.496 381 HB3 ARG 56 HB1 ARG 56 -6.474 11.584 -12.221 382 HG2 ARG 56 HG2 ARG 56 -4.565 11.215 -13.487 383 HG3 ARG 56 HG1 ARG 56 -3.924 10.019 -12.361 384 HD2 ARG 56 HD2 ARG 56 -4.643 8.540 -13.946 385 HD3 ARG 56 HD1 ARG 56 -6.198 8.762 -13.145 386 HE ARG 56 HE ARG 56 -6.308 10.747 -14.971 387 HH11 ARG 56 1HH1 ARG 56 -7.671 8.097 -15.466 388 HH12 ARG 56 2HH1 ARG 56 -7.024 7.654 -17.011 389 HH21 ARG 56 1HH2 ARG 56 -4.402 9.919 -16.858 390 HH22 ARG 56 2HH2 ARG 56 -5.172 8.685 -17.799 391 H CYS 57 H CYS 57 -4.366 13.538 -11.751 392 HA CYS 57 HA CYS 57 -5.699 15.339 -9.825 393 HB2 CYS 57 HB2 CYS 57 -4.137 16.141 -12.287 394 HB3 CYS 57 HB1 CYS 57 -4.440 17.095 -10.836 395 H THR 58 H THR 58 -7.180 17.016 -10.568 396 HA THR 58 HA THR 58 -8.993 16.018 -12.659 397 HB THR 58 HB THR 58 -10.493 17.790 -11.911 398 HG1 THR 58 HG1 THR 58 -9.491 19.007 -10.004 399 HG21 THR 58 3HG2 THR 58 -10.977 16.878 -9.846 400 HG22 THR 58 1HG2 THR 58 -9.290 16.881 -9.332 401 HG23 THR 58 2HG2 THR 58 -9.867 15.651 -10.456 402 H GLY 59 H GLY 59 -6.342 18.129 -12.476 403 HA2 GLY 59 HA2 GLY 59 -5.447 19.013 -14.598 404 HA3 GLY 59 HA1 GLY 59 -7.109 19.304 -15.115 405 H GLN 60 H GLN 60 -7.979 20.404 -12.569 406 HA GLN 60 HA GLN 60 -6.520 23.013 -12.678 407 HB2 GLN 60 HB2 GLN 60 -8.656 24.022 -11.900 408 HB3 GLN 60 HB1 GLN 60 -8.843 23.189 -13.443 409 HG2 GLN 60 HG2 GLN 60 -10.081 21.469 -12.525 410 HG3 GLN 60 HG1 GLN 60 -9.311 21.618 -10.945 411 HE21 GLN 60 1HE2 GLN 60 -12.155 21.505 -11.165 412 HE22 GLN 60 2HE2 GLN 60 -12.791 23.015 -10.725 413 H SER 61 H SER 61 -7.206 20.312 -10.741 414 HA SER 61 HA SER 61 -7.110 21.748 -8.177 415 HB2 SER 61 HB2 SER 61 -7.528 18.961 -9.074 416 HB3 SER 61 HB1 SER 61 -6.683 19.128 -7.539 417 HG SER 61 HG SER 61 -8.911 19.111 -7.194 418 H ALA 62 H ALA 62 -5.122 22.716 -7.854 419 HA ALA 62 HA ALA 62 -2.613 21.785 -8.761 420 HB1 ALA 62 HB1 ALA 62 -1.763 23.085 -6.655 421 HB2 ALA 62 HB2 ALA 62 -3.457 23.529 -6.456 422 HB3 ALA 62 HB3 ALA 62 -2.595 23.980 -7.927 423 H ASP 63 H ASP 63 -4.241 21.179 -5.640 424 HA ASP 63 HA ASP 63 -2.139 19.252 -4.887 425 HB2 ASP 63 HB2 ASP 63 -4.729 19.911 -3.453 426 HB3 ASP 63 HB1 ASP 63 -3.332 19.070 -2.780 427 H CYS 64 H CYS 64 -2.950 17.036 -4.091 428 HA CYS 64 HA CYS 64 -4.997 16.024 -6.022 429 HB2 CYS 64 HB2 CYS 64 -2.780 15.092 -6.469 430 HB3 CYS 64 HB1 CYS 64 -2.625 14.598 -4.784 431 HA PRO 65 HA PRO 65 -7.106 15.297 -2.151 432 HB2 PRO 65 HB2 PRO 65 -9.550 15.129 -3.370 433 HB3 PRO 65 HB1 PRO 65 -8.811 16.661 -2.904 434 HG2 PRO 65 HG2 PRO 65 -9.125 15.436 -5.601 435 HG3 PRO 65 HG1 PRO 65 -8.985 17.146 -5.154 436 HD2 PRO 65 HD2 PRO 65 -6.922 15.553 -6.225 437 HD3 PRO 65 HD1 PRO 65 -6.714 17.131 -5.435 438 H ARG 66 H ARG 66 -9.396 13.619 -2.314 439 HA ARG 66 HA ARG 66 -8.093 11.025 -2.921 440 HB2 ARG 66 HB2 ARG 66 -9.541 11.803 -0.759 441 HB3 ARG 66 HB1 ARG 66 -10.819 11.093 -1.746 442 HG2 ARG 66 HG2 ARG 66 -10.109 9.018 -1.245 443 HG3 ARG 66 HG1 ARG 66 -8.491 9.400 -1.834 444 HD2 ARG 66 HD2 ARG 66 -8.232 10.657 0.445 445 HD3 ARG 66 HD1 ARG 66 -9.590 9.652 0.953 446 HE ARG 66 HE ARG 66 -7.715 7.912 -0.227 447 HH11 ARG 66 1HH1 ARG 66 -8.753 7.802 2.633 448 HH12 ARG 66 2HH1 ARG 66 -7.280 7.959 3.532 449 HH21 ARG 66 1HH2 ARG 66 -5.445 9.119 0.827 450 HH22 ARG 66 2HH2 ARG 66 -5.407 8.708 2.509 451 H TYR 67 H TYR 67 -10.896 9.849 -3.139 452 HA TYR 67 HA TYR 67 -11.306 10.552 -6.013 453 HB2 TYR 67 HB2 TYR 67 -10.757 8.106 -5.022 454 HB3 TYR 67 HB1 TYR 67 -12.514 8.086 -4.857 455 HD1 TYR 67 HD2 TYR 67 -9.697 8.304 -7.231 456 HD2 TYR 67 HD1 TYR 67 -13.970 8.158 -6.807 457 HE1 TYR 67 HE2 TYR 67 -9.923 7.853 -9.659 458 HE2 TYR 67 HE1 TYR 67 -14.196 7.706 -9.236 459 HH TYR 67 HH TYR 67 -11.320 7.516 -11.342 460 H HIS 68 H HIS 68 -13.248 11.448 -6.579 461 HA HIS 68 HA HIS 68 -15.365 12.428 -6.266 462 HB2 HIS 68 HB2 HIS 68 -15.606 9.711 -6.076 463 HB3 HIS 68 HB1 HIS 68 -16.292 10.219 -4.533 464 HD1 HIS 68 HD1 HIS 68 -16.686 10.902 -8.255 465 HD2 HIS 68 HD2 HIS 68 -18.862 11.265 -4.718 466 HE1 HIS 68 HE1 HIS 68 -19.026 11.607 -8.923 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -8.862 35.425 -7.196 2 H2 GLY 1 HT2 GLY 1 -8.388 34.816 -5.682 3 H3 GLY 1 HT3 GLY 1 -8.488 33.779 -7.025 4 HA2 GLY 1 HA1 GLY 1 -6.760 35.968 -7.571 5 HA3 GLY 1 HA2 GLY 1 -6.249 35.093 -6.127 6 H LYS 2 H LYS 2 -6.902 34.789 -9.578 7 HA LYS 2 HA LYS 2 -5.214 32.328 -9.577 8 HB2 LYS 2 HB2 LYS 2 -8.001 32.478 -10.214 9 HB3 LYS 2 HB1 LYS 2 -7.111 32.151 -11.703 10 HG2 LYS 2 HG2 LYS 2 -5.937 30.283 -10.584 11 HG3 LYS 2 HG1 LYS 2 -6.857 30.596 -9.112 12 HD2 LYS 2 HD2 LYS 2 -7.965 29.743 -11.801 13 HD3 LYS 2 HD1 LYS 2 -7.955 28.800 -10.309 14 HE2 LYS 2 HE2 LYS 2 -10.021 29.654 -9.950 15 HE3 LYS 2 HE1 LYS 2 -9.187 31.152 -9.534 16 HZ1 LYS 2 HZ1 LYS 2 -11.003 30.950 -11.476 17 HZ2 LYS 2 HZ2 LYS 2 -9.580 30.689 -12.367 18 HZ3 LYS 2 HZ3 LYS 2 -9.768 32.113 -11.460 19 H GLU 3 H GLU 3 -3.822 34.428 -10.131 20 HA GLU 3 HA GLU 3 -4.070 35.111 -13.009 21 HB2 GLU 3 HB2 GLU 3 -2.279 36.221 -10.827 22 HB3 GLU 3 HB1 GLU 3 -2.291 36.788 -12.497 23 HG2 GLU 3 HG2 GLU 3 -4.364 37.792 -12.291 24 HG3 GLU 3 HG1 GLU 3 -4.899 36.668 -11.041 25 H CYS 4 H CYS 4 -2.182 33.165 -10.859 26 HA CYS 4 HA CYS 4 -0.163 32.769 -13.006 27 HB2 CYS 4 HB2 CYS 4 0.747 33.265 -10.749 28 HB3 CYS 4 HB1 CYS 4 -0.092 31.851 -10.116 29 H ASP 5 H ASP 5 -0.327 30.942 -14.244 30 HA ASP 5 HA ASP 5 -2.041 28.739 -13.187 31 HB2 ASP 5 HB2 ASP 5 -2.866 29.859 -15.251 32 HB3 ASP 5 HB1 ASP 5 -1.362 29.429 -16.063 33 H CYS 6 H CYS 6 1.023 29.446 -13.109 34 HA CYS 6 HA CYS 6 1.884 26.651 -13.472 35 HB2 CYS 6 HB2 CYS 6 3.451 27.011 -15.147 36 HB3 CYS 6 HB1 CYS 6 2.222 28.168 -15.634 37 H SER 7 H SER 7 4.688 27.220 -13.161 38 HA SER 7 HA SER 7 5.006 28.997 -10.866 39 HB2 SER 7 HB2 SER 7 4.569 26.093 -10.518 40 HB3 SER 7 HB1 SER 7 5.963 26.742 -9.658 41 HG SER 7 HG SER 7 3.558 28.168 -9.582 42 H SER 8 H SER 8 6.261 28.726 -13.469 43 HA SER 8 HA SER 8 9.046 28.161 -12.551 44 HB2 SER 8 HB2 SER 8 7.657 27.195 -15.038 45 HB3 SER 8 HB1 SER 8 9.403 27.436 -15.033 46 HG SER 8 HG SER 8 9.525 25.606 -14.027 47 HA PRO 9 HA PRO 9 9.709 32.196 -14.222 48 HB2 PRO 9 HB2 PRO 9 12.453 32.160 -14.073 49 HB3 PRO 9 HB1 PRO 9 11.402 32.392 -12.665 50 HG2 PRO 9 HG2 PRO 9 12.967 29.984 -13.462 51 HG3 PRO 9 HG1 PRO 9 12.433 30.492 -11.851 52 HD2 PRO 9 HD2 PRO 9 11.225 28.486 -13.451 53 HD3 PRO 9 HD1 PRO 9 10.534 29.218 -11.988 54 H GLU 10 H GLU 10 10.944 29.279 -15.629 55 HA GLU 10 HA GLU 10 11.432 30.752 -18.187 56 HB2 GLU 10 HB2 GLU 10 13.207 29.172 -18.711 57 HB3 GLU 10 HB1 GLU 10 13.536 29.888 -17.133 58 HG2 GLU 10 HG2 GLU 10 11.862 27.539 -16.853 59 HG3 GLU 10 HG1 GLU 10 13.342 27.146 -17.729 60 H ASN 11 H ASN 11 8.961 30.089 -18.125 61 HA ASN 11 HA ASN 11 8.748 27.376 -19.364 62 HB2 ASN 11 HB2 ASN 11 7.609 27.682 -17.110 63 HB3 ASN 11 HB1 ASN 11 6.529 28.826 -17.906 64 HD21 ASN 11 1HD2 ASN 11 6.559 25.699 -16.937 65 HD22 ASN 11 2HD2 ASN 11 5.594 24.997 -18.144 66 HA PRO 12 HA PRO 12 7.331 29.735 -22.855 67 HB2 PRO 12 HB2 PRO 12 6.680 27.565 -24.417 68 HB3 PRO 12 HB1 PRO 12 8.340 28.135 -24.178 69 HG2 PRO 12 HG2 PRO 12 6.991 25.745 -23.010 70 HG3 PRO 12 HG1 PRO 12 8.712 26.017 -23.333 71 HD2 PRO 12 HD2 PRO 12 7.455 26.201 -20.808 72 HD3 PRO 12 HD1 PRO 12 9.079 26.797 -21.210 73 H CYS 13 H CYS 13 5.473 27.362 -21.116 74 HA CYS 13 HA CYS 13 2.940 27.865 -22.485 75 HB2 CYS 13 HB2 CYS 13 3.143 26.746 -19.705 76 HB3 CYS 13 HB1 CYS 13 2.018 26.321 -20.992 77 H CYS 14 H CYS 14 4.322 28.795 -19.319 78 HA CYS 14 HA CYS 14 2.174 30.836 -19.170 79 HB2 CYS 14 HB2 CYS 14 2.435 30.827 -16.791 80 HB3 CYS 14 HB1 CYS 14 2.365 29.144 -17.315 81 H ASP 15 H ASP 15 2.631 32.975 -18.848 82 HA ASP 15 HA ASP 15 5.398 33.809 -19.452 83 HB2 ASP 15 HB2 ASP 15 2.744 35.249 -19.273 84 HB3 ASP 15 HB1 ASP 15 4.269 36.125 -19.416 85 H ALA 16 H ALA 16 6.772 34.360 -17.837 86 HA ALA 16 HA ALA 16 6.021 34.271 -15.077 87 HB1 ALA 16 HB1 ALA 16 8.327 35.554 -14.883 88 HB2 ALA 16 HB2 ALA 16 8.460 35.132 -16.590 89 HB3 ALA 16 HB3 ALA 16 8.286 33.861 -15.378 90 H ALA 17 H ALA 17 6.181 36.898 -17.414 91 HA ALA 17 HA ALA 17 6.248 39.141 -15.739 92 HB1 ALA 17 HB1 ALA 17 4.185 39.511 -17.725 93 HB2 ALA 17 HB2 ALA 17 5.535 38.622 -18.432 94 HB3 ALA 17 HB3 ALA 17 5.810 40.197 -17.684 95 H THR 18 H THR 18 3.631 36.876 -16.339 96 HA THR 18 HA THR 18 2.088 38.209 -14.153 97 HB THR 18 HB THR 18 0.022 37.748 -15.327 98 HG1 THR 18 HG1 THR 18 1.310 36.844 -17.607 99 HG21 THR 18 3HG2 THR 18 2.037 39.481 -16.299 100 HG22 THR 18 1HG2 THR 18 0.295 39.622 -16.536 101 HG23 THR 18 2HG2 THR 18 1.277 38.757 -17.717 102 H CYS 19 H CYS 19 3.699 35.459 -15.148 103 HA CYS 19 HA CYS 19 3.798 33.298 -14.216 104 HB2 CYS 19 HB2 CYS 19 3.267 34.812 -12.117 105 HB3 CYS 19 HB1 CYS 19 1.674 34.072 -12.240 106 H LYS 20 H LYS 20 1.384 34.522 -15.931 107 HA LYS 20 HA LYS 20 -0.462 32.199 -15.553 108 HB2 LYS 20 HB2 LYS 20 -1.104 34.819 -15.615 109 HB3 LYS 20 HB1 LYS 20 -1.235 34.445 -17.333 110 HG2 LYS 20 HG2 LYS 20 -2.455 32.340 -15.781 111 HG3 LYS 20 HG1 LYS 20 -3.132 33.898 -15.307 112 HD2 LYS 20 HD2 LYS 20 -3.730 34.419 -17.581 113 HD3 LYS 20 HD1 LYS 20 -2.848 33.020 -18.193 114 HE2 LYS 20 HE2 LYS 20 -4.494 31.545 -17.590 115 HE3 LYS 20 HE1 LYS 20 -4.936 32.467 -16.153 116 HZ1 LYS 20 HZ1 LYS 20 -6.630 33.271 -17.306 117 HZ2 LYS 20 HZ2 LYS 20 -6.091 32.533 -18.738 118 HZ3 LYS 20 HZ3 LYS 20 -5.530 34.079 -18.313 119 H LEU 21 H LEU 21 -1.600 31.692 -17.828 120 HA LEU 21 HA LEU 21 0.645 31.191 -19.720 121 HB2 LEU 21 HB2 LEU 21 -1.875 29.735 -19.129 122 HB3 LEU 21 HB1 LEU 21 -1.229 29.671 -20.759 123 HG LEU 21 HG LEU 21 1.027 29.148 -19.369 124 HD11 LEU 21 1HD1 LEU 21 -1.295 28.272 -17.662 125 HD12 LEU 21 2HD1 LEU 21 0.144 29.166 -17.170 126 HD13 LEU 21 3HD1 LEU 21 0.267 27.457 -17.590 127 HD21 LEU 21 3HD2 LEU 21 0.249 26.657 -19.591 128 HD22 LEU 21 1HD2 LEU 21 0.430 27.639 -21.044 129 HD23 LEU 21 2HD2 LEU 21 -1.173 27.367 -20.359 130 H ARG 22 H ARG 22 0.004 30.938 -21.935 131 HA ARG 22 HA ARG 22 -1.699 33.205 -22.762 132 HB2 ARG 22 HB2 ARG 22 0.729 32.231 -23.754 133 HB3 ARG 22 HB1 ARG 22 -0.467 31.618 -24.897 134 HG2 ARG 22 HG2 ARG 22 -0.934 33.688 -25.706 135 HG3 ARG 22 HG1 ARG 22 -0.902 34.419 -24.101 136 HD2 ARG 22 HD2 ARG 22 1.514 34.521 -24.123 137 HD3 ARG 22 HD1 ARG 22 1.586 33.592 -25.620 138 HE ARG 22 HE ARG 22 0.046 35.807 -26.274 139 HH11 ARG 22 1HH1 ARG 22 3.246 35.018 -25.319 140 HH12 ARG 22 2HH1 ARG 22 3.903 36.564 -25.740 141 HH21 ARG 22 1HH2 ARG 22 0.841 37.922 -26.630 142 HH22 ARG 22 2HH2 ARG 22 2.542 38.208 -26.479 143 HA PRO 23 HA PRO 23 -4.950 30.171 -23.036 144 HB2 PRO 23 HB2 PRO 23 -6.594 31.726 -24.649 145 HB3 PRO 23 HB1 PRO 23 -6.485 31.857 -22.883 146 HG2 PRO 23 HG2 PRO 23 -5.139 33.556 -24.986 147 HG3 PRO 23 HG1 PRO 23 -5.857 34.052 -23.437 148 HD2 PRO 23 HD2 PRO 23 -3.150 33.747 -23.681 149 HD3 PRO 23 HD1 PRO 23 -3.999 33.329 -22.188 150 H GLY 24 H GLY 24 -3.097 29.177 -24.370 151 HA2 GLY 24 HA2 GLY 24 -4.131 28.603 -27.100 152 HA3 GLY 24 HA1 GLY 24 -2.404 28.875 -26.844 153 H ALA 25 H ALA 25 -2.092 27.575 -24.338 154 HA ALA 25 HA ALA 25 -2.470 24.742 -25.178 155 HB1 ALA 25 HB1 ALA 25 -0.650 24.219 -23.738 156 HB2 ALA 25 HB2 ALA 25 -0.799 25.745 -22.868 157 HB3 ALA 25 HB3 ALA 25 -0.181 25.729 -24.519 158 H GLN 26 H GLN 26 -1.950 24.568 -21.956 159 HA GLN 26 HA GLN 26 -4.729 25.160 -21.133 160 HB2 GLN 26 HB2 GLN 26 -3.781 22.507 -21.770 161 HB3 GLN 26 HB1 GLN 26 -4.182 22.606 -20.054 162 HG2 GLN 26 HG2 GLN 26 -6.413 23.247 -20.490 163 HG3 GLN 26 HG1 GLN 26 -6.047 23.707 -22.153 164 HE21 GLN 26 1HE2 GLN 26 -8.116 22.031 -22.121 165 HE22 GLN 26 2HE2 GLN 26 -7.680 20.430 -22.478 166 H CYS 27 H CYS 27 -1.600 23.760 -20.127 167 HA CYS 27 HA CYS 27 -1.646 25.510 -17.747 168 HB2 CYS 27 HB2 CYS 27 -0.926 23.437 -16.369 169 HB3 CYS 27 HB1 CYS 27 -2.640 23.620 -16.742 170 H GLY 28 H GLY 28 0.506 25.567 -16.683 171 HA2 GLY 28 HA2 GLY 28 2.653 25.078 -18.684 172 HA3 GLY 28 HA1 GLY 28 2.761 26.207 -17.336 173 H GLU 29 H GLU 29 1.797 24.493 -15.296 174 HA GLU 29 HA GLU 29 3.690 22.202 -15.341 175 HB2 GLU 29 HB2 GLU 29 3.518 23.834 -12.843 176 HB3 GLU 29 HB1 GLU 29 4.841 22.850 -13.454 177 HG2 GLU 29 HG2 GLU 29 4.795 24.689 -15.399 178 HG3 GLU 29 HG1 GLU 29 4.139 25.668 -14.088 179 H GLY 30 H GLY 30 3.313 21.043 -13.007 180 HA2 GLY 30 HA2 GLY 30 1.267 20.869 -11.384 181 HA3 GLY 30 HA1 GLY 30 0.365 20.621 -12.879 182 H LEU 31 H LEU 31 0.383 18.634 -10.922 183 HA LEU 31 HA LEU 31 2.445 16.660 -11.378 184 HB2 LEU 31 HB2 LEU 31 -0.018 16.881 -9.812 185 HB3 LEU 31 HB1 LEU 31 0.211 15.268 -10.482 186 HG LEU 31 HG LEU 31 1.276 15.682 -8.202 187 HD11 LEU 31 1HD1 LEU 31 2.550 13.923 -8.796 188 HD12 LEU 31 2HD1 LEU 31 3.621 14.976 -9.720 189 HD13 LEU 31 3HD1 LEU 31 2.196 14.275 -10.487 190 HD21 LEU 31 3HD2 LEU 31 2.941 17.227 -7.941 191 HD22 LEU 31 1HD2 LEU 31 2.176 17.990 -9.335 192 HD23 LEU 31 2HD2 LEU 31 3.584 16.953 -9.560 193 H CYS 32 H CYS 32 -0.019 17.751 -13.366 194 HA CYS 32 HA CYS 32 0.237 15.327 -15.050 195 HB2 CYS 32 HB2 CYS 32 -2.522 16.446 -14.692 196 HB3 CYS 32 HB1 CYS 32 -2.029 14.819 -15.160 197 H CYS 33 H CYS 33 1.482 17.658 -15.671 198 HA CYS 33 HA CYS 33 -0.152 18.614 -17.966 199 HB2 CYS 33 HB2 CYS 33 -0.293 20.288 -16.083 200 HB3 CYS 33 HB1 CYS 33 1.453 20.499 -16.215 201 H GLU 34 H GLU 34 1.010 18.373 -19.791 202 HA GLU 34 HA GLU 34 3.952 18.792 -19.696 203 HB2 GLU 34 HB2 GLU 34 3.615 16.370 -19.433 204 HB3 GLU 34 HB1 GLU 34 2.595 16.346 -20.871 205 HG2 GLU 34 HG2 GLU 34 4.661 15.706 -21.748 206 HG3 GLU 34 HG1 GLU 34 4.675 17.447 -22.031 207 H GLN 35 H GLN 35 4.729 19.746 -21.576 208 HA GLN 35 HA GLN 35 4.676 20.717 -23.718 209 HB2 GLN 35 HB2 GLN 35 2.974 18.392 -23.910 210 HB3 GLN 35 HB1 GLN 35 2.296 19.710 -24.866 211 HG2 GLN 35 HG2 GLN 35 4.016 19.684 -26.360 212 HG3 GLN 35 HG1 GLN 35 5.224 19.372 -25.112 213 HE21 GLN 35 1HE2 GLN 35 6.133 17.321 -25.255 214 HE22 GLN 35 2HE2 GLN 35 5.364 15.952 -25.899 215 H CYS 36 H CYS 36 3.317 21.878 -21.402 216 HA CYS 36 HA CYS 36 2.002 23.774 -20.985 217 HB2 CYS 36 HB2 CYS 36 1.604 23.805 -23.992 218 HB3 CYS 36 HB1 CYS 36 1.248 25.126 -22.882 219 H LYS 37 H LYS 37 0.897 20.870 -21.982 220 HA LYS 37 HA LYS 37 -1.954 21.728 -21.718 221 HB2 LYS 37 HB2 LYS 37 -0.735 19.523 -23.394 222 HB3 LYS 37 HB1 LYS 37 -2.461 19.607 -23.036 223 HG2 LYS 37 HG2 LYS 37 -1.688 22.199 -23.878 224 HG3 LYS 37 HG1 LYS 37 -0.968 21.064 -25.020 225 HD2 LYS 37 HD2 LYS 37 -3.888 21.167 -24.209 226 HD3 LYS 37 HD1 LYS 37 -3.223 21.672 -25.763 227 HE2 LYS 37 HE2 LYS 37 -2.806 18.872 -24.716 228 HE3 LYS 37 HE1 LYS 37 -4.250 19.305 -25.630 229 HZ1 LYS 37 HZ1 LYS 37 -3.105 19.243 -27.508 230 HZ2 LYS 37 HZ2 LYS 37 -1.778 18.626 -26.645 231 HZ3 LYS 37 HZ3 LYS 37 -1.923 20.298 -26.903 232 H PHE 38 H PHE 38 -3.340 19.840 -20.864 233 HA PHE 38 HA PHE 38 -2.244 18.966 -18.344 234 HB2 PHE 38 HB2 PHE 38 -4.724 17.980 -19.789 235 HB3 PHE 38 HB1 PHE 38 -4.361 17.752 -18.079 236 HD1 PHE 38 HD1 PHE 38 -3.415 20.241 -17.090 237 HD2 PHE 38 HD2 PHE 38 -6.422 19.544 -20.078 238 HE1 PHE 38 HE1 PHE 38 -4.435 22.443 -16.579 239 HE2 PHE 38 HE2 PHE 38 -7.440 21.747 -19.567 240 HZ PHE 38 HZ PHE 38 -6.447 23.197 -17.817 241 H SER 39 H SER 39 -2.431 16.522 -17.756 242 HA SER 39 HA SER 39 -0.694 15.067 -19.619 243 HB2 SER 39 HB2 SER 39 -0.436 14.995 -17.106 244 HB3 SER 39 HB1 SER 39 -1.942 14.087 -17.033 245 HG SER 39 HG SER 39 -0.645 12.447 -17.324 246 H ARG 40 H ARG 40 -2.449 12.636 -18.296 247 HA ARG 40 HA ARG 40 -4.424 12.643 -20.538 248 HB2 ARG 40 HB2 ARG 40 -2.406 10.636 -19.735 249 HB3 ARG 40 HB1 ARG 40 -4.015 9.985 -20.055 250 HG2 ARG 40 HG2 ARG 40 -4.003 11.272 -22.232 251 HG3 ARG 40 HG1 ARG 40 -2.308 11.650 -21.923 252 HD2 ARG 40 HD2 ARG 40 -2.034 9.076 -21.612 253 HD3 ARG 40 HD1 ARG 40 -3.569 8.972 -22.475 254 HE ARG 40 HE ARG 40 -2.301 10.435 -24.249 255 HH11 ARG 40 1HH2 ARG 40 -1.461 7.518 -22.729 256 HH12 ARG 40 2HH2 ARG 40 0.046 7.332 -23.564 257 HH21 ARG 40 1HH1 ARG 40 -0.119 10.438 -25.098 258 HH22 ARG 40 2HH1 ARG 40 0.808 8.988 -24.901 259 H ALA 41 H ALA 41 -6.387 11.372 -20.073 260 HA ALA 41 HA ALA 41 -7.438 11.908 -17.459 261 HB1 ALA 41 HB1 ALA 41 -8.448 11.022 -19.957 262 HB2 ALA 41 HB2 ALA 41 -9.373 11.484 -18.529 263 HB3 ALA 41 HB3 ALA 41 -8.904 9.802 -18.769 264 H GLY 42 H GLY 42 -6.732 10.855 -15.671 265 HA2 GLY 42 HA2 GLY 42 -6.709 8.865 -14.290 266 HA3 GLY 42 HA1 GLY 42 -6.608 7.886 -15.754 267 H LYS 43 H LYS 43 -4.651 10.747 -15.112 268 HA LYS 43 HA LYS 43 -2.214 9.178 -15.567 269 HB2 LYS 43 HB2 LYS 43 -2.144 11.318 -16.565 270 HB3 LYS 43 HB1 LYS 43 -2.811 12.103 -15.135 271 HG2 LYS 43 HG2 LYS 43 -0.369 12.523 -15.385 272 HG3 LYS 43 HG1 LYS 43 -0.749 11.664 -13.892 273 HD2 LYS 43 HD2 LYS 43 0.036 9.602 -14.737 274 HD3 LYS 43 HD1 LYS 43 -0.025 10.164 -16.407 275 HE2 LYS 43 HE2 LYS 43 1.805 11.417 -14.352 276 HE3 LYS 43 HE1 LYS 43 2.301 10.046 -15.344 277 HZ1 LYS 43 HZ1 LYS 43 1.421 11.544 -17.259 278 HZ2 LYS 43 HZ2 LYS 43 2.977 11.798 -16.625 279 HZ3 LYS 43 HZ3 LYS 43 1.688 12.801 -16.153 280 H ILE 44 H ILE 44 -1.119 8.203 -13.946 281 HA ILE 44 HA ILE 44 -1.880 8.381 -11.207 282 HB ILE 44 HB ILE 44 0.651 7.402 -12.538 283 HG12 ILE 44 2HG1 ILE 44 -1.583 6.218 -12.883 284 HG13 ILE 44 1HG1 ILE 44 -0.292 5.223 -12.209 285 HG21 ILE 44 1HG2 ILE 44 -0.196 7.279 -9.630 286 HG22 ILE 44 2HG2 ILE 44 1.255 8.042 -10.282 287 HG23 ILE 44 3HG2 ILE 44 1.088 6.286 -10.320 288 HD11 ILE 44 3HD1 ILE 44 -2.656 5.166 -11.084 289 HD12 ILE 44 1HD1 ILE 44 -2.156 6.698 -10.369 290 HD13 ILE 44 2HD1 ILE 44 -1.221 5.236 -10.061 291 H CYS 45 H CYS 45 -1.693 10.224 -10.030 292 HA CYS 45 HA CYS 45 0.713 11.949 -10.435 293 HB2 CYS 45 HB2 CYS 45 -0.657 13.629 -9.118 294 HB3 CYS 45 HB1 CYS 45 -1.334 13.195 -10.689 295 H ARG 46 H ARG 46 -0.778 9.728 -8.309 296 HA ARG 46 HA ARG 46 1.411 10.014 -6.378 297 HB2 ARG 46 HB2 ARG 46 -1.092 11.318 -5.901 298 HB3 ARG 46 HB1 ARG 46 -0.973 9.948 -4.796 299 HG2 ARG 46 HG2 ARG 46 0.621 10.965 -3.568 300 HG3 ARG 46 HG1 ARG 46 1.557 11.375 -5.006 301 HD2 ARG 46 HD2 ARG 46 -0.142 13.237 -5.419 302 HD3 ARG 46 HD1 ARG 46 -0.739 12.922 -3.789 303 HE ARG 46 HE ARG 46 1.963 13.256 -3.392 304 HH11 ARG 46 1HH1 ARG 46 1.900 14.932 -5.902 305 HH12 ARG 46 2HH1 ARG 46 1.587 16.511 -5.262 306 HH21 ARG 46 1HH2 ARG 46 0.528 15.342 -2.174 307 HH22 ARG 46 2HH2 ARG 46 0.812 16.744 -3.152 308 H ILE 47 H ILE 47 1.913 8.024 -5.647 309 HA ILE 47 HA ILE 47 -0.158 5.899 -5.948 310 HB ILE 47 HB ILE 47 2.523 6.125 -7.035 311 HG12 ILE 47 2HG1 ILE 47 0.343 5.456 -8.162 312 HG13 ILE 47 1HG1 ILE 47 1.723 4.412 -8.507 313 HG21 ILE 47 1HG2 ILE 47 1.929 3.783 -5.219 314 HG22 ILE 47 2HG2 ILE 47 3.352 4.825 -5.219 315 HG23 ILE 47 3HG2 ILE 47 3.097 3.682 -6.537 316 HD11 ILE 47 3HD1 ILE 47 -0.487 3.885 -6.502 317 HD12 ILE 47 1HD1 ILE 47 0.958 2.888 -6.666 318 HD13 ILE 47 2HD1 ILE 47 -0.189 3.006 -8.001 319 HA PRO 48 HA PRO 48 0.861 5.511 -1.584 320 HB2 PRO 48 HB2 PRO 48 -1.400 4.076 -0.967 321 HB3 PRO 48 HB1 PRO 48 -1.407 5.837 -1.154 322 HG2 PRO 48 HG2 PRO 48 -2.514 3.766 -2.971 323 HG3 PRO 48 HG1 PRO 48 -2.933 5.483 -2.841 324 HD2 PRO 48 HD2 PRO 48 -1.246 4.254 -4.811 325 HD3 PRO 48 HD1 PRO 48 -1.573 5.985 -4.608 326 H ARG 49 H ARG 49 -0.019 3.025 -0.362 327 HA ARG 49 HA ARG 49 1.979 1.199 -1.438 328 HB2 ARG 49 HB2 ARG 49 0.284 1.364 0.929 329 HB3 ARG 49 HB1 ARG 49 0.257 -0.260 0.242 330 HG2 ARG 49 HG2 ARG 49 2.104 0.116 1.918 331 HG3 ARG 49 HG1 ARG 49 2.666 -0.414 0.333 332 HD2 ARG 49 HD2 ARG 49 3.810 1.504 -0.005 333 HD3 ARG 49 HD1 ARG 49 2.436 2.491 0.494 334 HE ARG 49 HE ARG 49 3.533 2.750 2.552 335 HH11 ARG 49 1HH1 ARG 49 5.790 1.107 0.968 336 HH12 ARG 49 2HH1 ARG 49 6.275 0.049 2.251 337 HH21 ARG 49 1HH2 ARG 49 3.560 0.817 4.268 338 HH22 ARG 49 2HH2 ARG 49 5.014 -0.113 4.122 339 H LEU 50 H LEU 50 1.575 -0.169 -3.157 340 HA LEU 50 HA LEU 50 -0.705 -0.113 -4.700 341 HB2 LEU 50 HB2 LEU 50 1.505 -2.011 -4.399 342 HB3 LEU 50 HB1 LEU 50 0.018 -2.764 -4.981 343 HG LEU 50 HG LEU 50 1.247 -1.978 -6.914 344 HD11 LEU 50 1HD1 LEU 50 -0.739 0.243 -6.568 345 HD12 LEU 50 2HD1 LEU 50 -1.329 -1.417 -6.556 346 HD13 LEU 50 3HD1 LEU 50 -0.463 -0.801 -7.963 347 HD21 LEU 50 3HD2 LEU 50 2.701 -0.376 -5.827 348 HD22 LEU 50 1HD2 LEU 50 1.326 0.643 -5.403 349 HD23 LEU 50 2HD2 LEU 50 1.803 0.463 -7.091 350 H ASP 51 H ASP 51 -2.272 -1.981 -5.066 351 HA ASP 51 HA ASP 51 -3.852 -3.528 -4.259 352 HB2 ASP 51 HB2 ASP 51 -2.061 -4.049 -2.441 353 HB3 ASP 51 HB1 ASP 51 -3.007 -2.962 -1.424 354 H MET 52 H MET 52 -3.504 -0.309 -3.807 355 HA MET 52 HA MET 52 -6.285 -0.038 -2.748 356 HB2 MET 52 HB2 MET 52 -4.407 2.245 -2.380 357 HB3 MET 52 HB1 MET 52 -5.682 1.656 -1.317 358 HG2 MET 52 HG2 MET 52 -3.153 0.068 -1.736 359 HG3 MET 52 HG1 MET 52 -3.249 1.342 -0.523 360 HE1 MET 52 HE1 MET 52 -6.293 1.161 0.565 361 HE2 MET 52 HE2 MET 52 -4.730 1.530 1.288 362 HE3 MET 52 HE3 MET 52 -5.755 0.291 2.008 363 HA PRO 53 HA PRO 53 -7.077 2.488 -6.256 364 HB2 PRO 53 HB2 PRO 53 -8.366 4.688 -5.242 365 HB3 PRO 53 HB1 PRO 53 -9.104 3.078 -5.331 366 HG2 PRO 53 HG2 PRO 53 -8.029 4.525 -2.960 367 HG3 PRO 53 HG1 PRO 53 -9.300 3.293 -3.035 368 HD2 PRO 53 HD2 PRO 53 -6.625 2.880 -2.225 369 HD3 PRO 53 HD1 PRO 53 -7.797 1.605 -2.623 370 H ASP 54 H ASP 54 -4.689 2.930 -6.485 371 HA ASP 54 HA ASP 54 -3.177 5.021 -5.528 372 HB2 ASP 54 HB2 ASP 54 -3.336 4.450 -8.493 373 HB3 ASP 54 HB1 ASP 54 -1.930 4.963 -7.560 374 H ASP 55 H ASP 55 -2.731 7.209 -6.503 375 HA ASP 55 HA ASP 55 -5.299 8.579 -7.041 376 HB2 ASP 55 HB2 ASP 55 -2.568 9.847 -6.729 377 HB3 ASP 55 HB1 ASP 55 -4.145 10.609 -6.515 378 H ARG 56 H ARG 56 -5.820 9.434 -9.029 379 HA ARG 56 HA ARG 56 -3.681 9.487 -11.113 380 HB2 ARG 56 HB2 ARG 56 -6.284 8.033 -11.123 381 HB3 ARG 56 HB1 ARG 56 -5.795 8.813 -12.628 382 HG2 ARG 56 HG2 ARG 56 -3.678 7.616 -12.619 383 HG3 ARG 56 HG1 ARG 56 -4.038 6.922 -11.037 384 HD2 ARG 56 HD2 ARG 56 -5.558 5.419 -11.888 385 HD3 ARG 56 HD1 ARG 56 -6.052 6.499 -13.193 386 HE ARG 56 HE ARG 56 -3.344 5.672 -13.627 387 HH11 ARG 56 1HH1 ARG 56 -4.719 3.085 -12.841 388 HH12 ARG 56 2HH1 ARG 56 -5.259 2.503 -14.381 389 HH21 ARG 56 1HH2 ARG 56 -4.844 5.555 -15.976 390 HH22 ARG 56 2HH2 ARG 56 -5.330 3.903 -16.157 391 H CYS 57 H CYS 57 -4.185 10.972 -12.906 392 HA CYS 57 HA CYS 57 -5.646 13.347 -11.944 393 HB2 CYS 57 HB2 CYS 57 -4.349 13.064 -14.655 394 HB3 CYS 57 HB1 CYS 57 -4.582 14.525 -13.693 395 H THR 58 H THR 58 -7.267 14.400 -13.366 396 HA THR 58 HA THR 58 -9.081 12.381 -14.516 397 HB THR 58 HB THR 58 -10.751 14.050 -14.421 398 HG1 THR 58 HG1 THR 58 -9.688 15.681 -15.509 399 HG21 THR 58 3HG2 THR 58 -9.179 15.217 -12.204 400 HG22 THR 58 1HG2 THR 58 -9.304 13.459 -12.194 401 HG23 THR 58 2HG2 THR 58 -10.765 14.447 -12.177 402 H GLY 59 H GLY 59 -6.491 14.028 -15.695 403 HA2 GLY 59 HA2 GLY 59 -5.834 13.979 -18.009 404 HA3 GLY 59 HA1 GLY 59 -7.530 13.813 -18.459 405 H GLN 60 H GLN 60 -8.797 15.899 -17.365 406 HA GLN 60 HA GLN 60 -7.666 18.184 -18.820 407 HB2 GLN 60 HB2 GLN 60 -9.773 19.317 -18.188 408 HB3 GLN 60 HB1 GLN 60 -10.090 17.741 -18.915 409 HG2 GLN 60 HG2 GLN 60 -10.611 16.751 -16.837 410 HG3 GLN 60 HG1 GLN 60 -9.828 18.043 -15.926 411 HE21 GLN 60 1HE2 GLN 60 -10.929 20.347 -17.009 412 HE22 GLN 60 2HE2 GLN 60 -12.613 20.353 -16.800 413 H SER 61 H SER 61 -7.576 16.976 -15.620 414 HA SER 61 HA SER 61 -7.198 19.594 -14.348 415 HB2 SER 61 HB2 SER 61 -6.643 16.837 -13.219 416 HB3 SER 61 HB1 SER 61 -6.836 18.333 -12.309 417 HG SER 61 HG SER 61 -8.864 17.790 -12.276 418 H ALA 62 H ALA 62 -5.200 20.401 -13.594 419 HA ALA 62 HA ALA 62 -2.831 19.251 -14.973 420 HB1 ALA 62 HB1 ALA 62 -3.664 21.945 -14.105 421 HB2 ALA 62 HB2 ALA 62 -2.613 21.467 -15.439 422 HB3 ALA 62 HB3 ALA 62 -1.966 21.576 -13.802 423 H ASP 63 H ASP 63 -3.794 20.461 -11.745 424 HA ASP 63 HA ASP 63 -1.398 19.228 -10.542 425 HB2 ASP 63 HB2 ASP 63 -3.649 20.335 -8.902 426 HB3 ASP 63 HB1 ASP 63 -1.909 20.437 -8.628 427 H CYS 64 H CYS 64 -2.007 17.987 -8.345 428 HA CYS 64 HA CYS 64 -4.126 15.997 -9.053 429 HB2 CYS 64 HB2 CYS 64 -1.928 14.976 -9.269 430 HB3 CYS 64 HB1 CYS 64 -1.471 15.540 -7.663 431 HA PRO 65 HA PRO 65 -5.602 17.631 -5.167 432 HB2 PRO 65 HB2 PRO 65 -8.183 16.880 -5.695 433 HB3 PRO 65 HB1 PRO 65 -7.478 18.394 -6.263 434 HG2 PRO 65 HG2 PRO 65 -8.120 15.911 -7.773 435 HG3 PRO 65 HG1 PRO 65 -7.980 17.576 -8.362 436 HD2 PRO 65 HD2 PRO 65 -6.036 15.544 -8.645 437 HD3 PRO 65 HD1 PRO 65 -5.791 17.279 -8.937 438 H ARG 66 H ARG 66 -7.866 15.059 -5.894 439 HA ARG 66 HA ARG 66 -6.442 13.023 -4.352 440 HB2 ARG 66 HB2 ARG 66 -7.949 12.925 -2.478 441 HB3 ARG 66 HB1 ARG 66 -7.420 14.602 -2.615 442 HG2 ARG 66 HG2 ARG 66 -9.471 15.231 -3.727 443 HG3 ARG 66 HG1 ARG 66 -9.981 13.546 -3.842 444 HD2 ARG 66 HD2 ARG 66 -10.759 13.526 -1.715 445 HD3 ARG 66 HD1 ARG 66 -9.336 14.365 -1.100 446 HE ARG 66 HE ARG 66 -10.766 16.329 -2.457 447 HH11 ARG 66 1HH2 ARG 66 -10.325 15.696 0.631 448 HH12 ARG 66 2HH2 ARG 66 -11.942 15.972 1.189 449 HH21 ARG 66 1HH1 ARG 66 -13.322 15.978 -1.993 450 HH22 ARG 66 2HH1 ARG 66 -13.639 16.127 -0.296 451 H TYR 67 H TYR 67 -8.114 11.116 -3.958 452 HA TYR 67 HA TYR 67 -9.314 10.562 -6.561 453 HB2 TYR 67 HB2 TYR 67 -8.190 8.940 -4.752 454 HB3 TYR 67 HB1 TYR 67 -9.863 8.808 -4.208 455 HD1 TYR 67 HD2 TYR 67 -8.093 9.012 -7.517 456 HD2 TYR 67 HD1 TYR 67 -11.014 6.994 -5.099 457 HE1 TYR 67 HE2 TYR 67 -8.580 7.468 -9.393 458 HE2 TYR 67 HE1 TYR 67 -11.503 5.449 -6.976 459 HH TYR 67 HH TYR 67 -10.202 4.603 -9.044 460 H HIS 68 H HIS 68 -11.605 9.898 -6.786 461 HA HIS 68 HA HIS 68 -13.892 10.376 -6.562 462 HB2 HIS 68 HB2 HIS 68 -12.881 9.701 -3.944 463 HB3 HIS 68 HB1 HIS 68 -14.143 10.926 -3.797 464 HD1 HIS 68 HD1 HIS 68 -13.651 7.711 -5.816 465 HD2 HIS 68 HD2 HIS 68 -16.635 9.761 -3.746 466 HE1 HIS 68 HE1 HIS 68 -15.738 6.284 -5.966 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -9.947 34.670 -4.907 2 H2 GLY 1 HT2 GLY 1 -10.616 33.231 -5.512 3 H3 GLY 1 HT3 GLY 1 -11.180 34.733 -6.071 4 HA2 GLY 1 HA1 GLY 1 -9.749 33.752 -7.725 5 HA3 GLY 1 HA2 GLY 1 -8.999 35.196 -7.044 6 H LYS 2 H LYS 2 -6.922 34.228 -7.703 7 HA LYS 2 HA LYS 2 -5.952 32.305 -5.639 8 HB2 LYS 2 HB2 LYS 2 -4.478 31.889 -8.063 9 HB3 LYS 2 HB1 LYS 2 -5.462 30.730 -7.173 10 HG2 LYS 2 HG2 LYS 2 -7.469 31.472 -8.365 11 HG3 LYS 2 HG1 LYS 2 -6.535 32.709 -9.208 12 HD2 LYS 2 HD2 LYS 2 -5.286 30.104 -9.491 13 HD3 LYS 2 HD1 LYS 2 -6.957 30.066 -10.054 14 HE2 LYS 2 HE2 LYS 2 -6.544 31.488 -11.795 15 HE3 LYS 2 HE1 LYS 2 -5.380 32.440 -10.873 16 HZ1 LYS 2 HZ1 LYS 2 -4.366 29.845 -11.238 17 HZ2 LYS 2 HZ2 LYS 2 -3.741 31.318 -11.811 18 HZ3 LYS 2 HZ3 LYS 2 -4.859 30.446 -12.746 19 H GLU 3 H GLU 3 -4.989 34.113 -4.565 20 HA GLU 3 HA GLU 3 -3.146 35.858 -6.007 21 HB2 GLU 3 HB2 GLU 3 -3.770 35.490 -3.069 22 HB3 GLU 3 HB1 GLU 3 -2.585 36.653 -3.662 23 HG2 GLU 3 HG2 GLU 3 -4.209 38.115 -4.193 24 HG3 GLU 3 HG1 GLU 3 -5.027 36.902 -5.176 25 H CYS 4 H CYS 4 -2.939 32.874 -4.227 26 HA CYS 4 HA CYS 4 -0.054 32.800 -4.893 27 HB2 CYS 4 HB2 CYS 4 -0.267 33.540 -2.507 28 HB3 CYS 4 HB1 CYS 4 -1.101 32.027 -2.161 29 H ASP 5 H ASP 5 0.004 31.100 -6.253 30 HA ASP 5 HA ASP 5 -1.386 28.590 -5.400 31 HB2 ASP 5 HB2 ASP 5 -1.519 30.044 -7.871 32 HB3 ASP 5 HB1 ASP 5 -0.726 28.499 -8.175 33 H CYS 6 H CYS 6 1.448 29.866 -5.082 34 HA CYS 6 HA CYS 6 2.906 27.346 -5.381 35 HB2 CYS 6 HB2 CYS 6 3.295 27.999 -7.607 36 HB3 CYS 6 HB1 CYS 6 3.358 29.704 -7.186 37 H SER 7 H SER 7 3.662 27.388 -3.287 38 HA SER 7 HA SER 7 4.530 29.929 -2.080 39 HB2 SER 7 HB2 SER 7 3.317 27.793 -0.995 40 HB3 SER 7 HB1 SER 7 4.990 27.329 -0.700 41 HG SER 7 HG SER 7 5.054 28.782 0.806 42 H SER 8 H SER 8 6.045 28.388 -4.327 43 HA SER 8 HA SER 8 8.579 27.741 -2.994 44 HB2 SER 8 HB2 SER 8 7.629 27.744 -5.851 45 HB3 SER 8 HB1 SER 8 9.340 27.573 -5.471 46 HG SER 8 HG SER 8 8.372 25.905 -3.891 47 HA PRO 9 HA PRO 9 9.688 32.076 -3.352 48 HB2 PRO 9 HB2 PRO 9 11.905 31.872 -1.740 49 HB3 PRO 9 HB1 PRO 9 10.252 32.032 -1.119 50 HG2 PRO 9 HG2 PRO 9 12.004 29.619 -1.195 51 HG3 PRO 9 HG1 PRO 9 10.678 30.008 -0.088 52 HD2 PRO 9 HD2 PRO 9 10.535 28.229 -2.285 53 HD3 PRO 9 HD1 PRO 9 9.154 28.878 -1.374 54 H GLU 10 H GLU 10 11.016 29.412 -4.762 55 HA GLU 10 HA GLU 10 13.281 30.998 -5.905 56 HB2 GLU 10 HB2 GLU 10 13.433 28.560 -4.540 57 HB3 GLU 10 HB1 GLU 10 13.552 28.119 -6.245 58 HG2 GLU 10 HG2 GLU 10 15.127 30.468 -5.823 59 HG3 GLU 10 HG1 GLU 10 15.563 29.287 -4.588 60 H ASN 11 H ASN 11 10.357 29.339 -6.505 61 HA ASN 11 HA ASN 11 10.846 28.511 -9.216 62 HB2 ASN 11 HB2 ASN 11 8.673 28.462 -7.373 63 HB3 ASN 11 HB1 ASN 11 8.101 29.242 -8.845 64 HD21 ASN 11 1HD2 ASN 11 6.985 26.789 -8.376 65 HD22 ASN 11 2HD2 ASN 11 7.658 25.604 -9.390 66 HA PRO 12 HA PRO 12 10.800 32.558 -11.016 67 HB2 PRO 12 HB2 PRO 12 10.828 31.724 -13.634 68 HB3 PRO 12 HB1 PRO 12 12.258 31.718 -12.587 69 HG2 PRO 12 HG2 PRO 12 10.598 29.420 -13.506 70 HG3 PRO 12 HG1 PRO 12 12.298 29.448 -13.008 71 HD2 PRO 12 HD2 PRO 12 10.113 28.559 -11.433 72 HD3 PRO 12 HD1 PRO 12 11.763 28.876 -10.856 73 H CYS 13 H CYS 13 8.686 30.136 -12.622 74 HA CYS 13 HA CYS 13 6.898 31.899 -13.854 75 HB2 CYS 13 HB2 CYS 13 6.803 29.102 -12.949 76 HB3 CYS 13 HB1 CYS 13 5.223 29.882 -13.042 77 H CYS 14 H CYS 14 6.360 30.411 -10.615 78 HA CYS 14 HA CYS 14 4.216 32.312 -10.108 79 HB2 CYS 14 HB2 CYS 14 3.971 31.253 -7.970 80 HB3 CYS 14 HB1 CYS 14 4.238 29.992 -9.171 81 H ASP 15 H ASP 15 4.620 34.368 -9.678 82 HA ASP 15 HA ASP 15 7.140 35.425 -8.866 83 HB2 ASP 15 HB2 ASP 15 4.383 36.424 -9.221 84 HB3 ASP 15 HB1 ASP 15 5.337 37.315 -8.032 85 H ALA 16 H ALA 16 8.068 35.467 -6.878 86 HA ALA 16 HA ALA 16 6.799 34.251 -4.597 87 HB1 ALA 16 HB1 ALA 16 8.890 34.309 -3.729 88 HB2 ALA 16 HB2 ALA 16 9.023 36.050 -3.971 89 HB3 ALA 16 HB3 ALA 16 9.398 34.945 -5.293 90 H ALA 17 H ALA 17 7.352 37.609 -5.601 91 HA ALA 17 HA ALA 17 6.444 38.871 -3.211 92 HB1 ALA 17 HB1 ALA 17 7.175 39.671 -5.857 93 HB2 ALA 17 HB2 ALA 17 7.000 40.685 -4.427 94 HB3 ALA 17 HB3 ALA 17 5.615 40.405 -5.483 95 H THR 18 H THR 18 4.631 38.299 -6.250 96 HA THR 18 HA THR 18 2.081 38.831 -4.946 97 HB THR 18 HB THR 18 1.152 37.921 -7.130 98 HG1 THR 18 HG1 THR 18 3.134 37.953 -8.678 99 HG21 THR 18 3HG2 THR 18 2.226 39.809 -8.505 100 HG22 THR 18 1HG2 THR 18 3.181 40.154 -7.062 101 HG23 THR 18 2HG2 THR 18 1.423 40.274 -7.005 102 H CYS 19 H CYS 19 4.159 36.113 -5.291 103 HA CYS 19 HA CYS 19 3.955 33.975 -4.306 104 HB2 CYS 19 HB2 CYS 19 2.267 35.423 -2.799 105 HB3 CYS 19 HB1 CYS 19 1.091 34.401 -3.609 106 H LYS 20 H LYS 20 2.517 35.106 -6.985 107 HA LYS 20 HA LYS 20 1.503 32.395 -7.682 108 HB2 LYS 20 HB2 LYS 20 -0.442 33.473 -8.876 109 HB3 LYS 20 HB1 LYS 20 -0.511 33.571 -7.118 110 HG2 LYS 20 HG2 LYS 20 -0.970 35.772 -7.620 111 HG3 LYS 20 HG1 LYS 20 0.791 35.858 -7.564 112 HD2 LYS 20 HD2 LYS 20 0.438 36.836 -9.627 113 HD3 LYS 20 HD1 LYS 20 0.539 35.148 -10.126 114 HE2 LYS 20 HE2 LYS 20 -2.150 35.982 -9.259 115 HE3 LYS 20 HE1 LYS 20 -1.567 36.816 -10.699 116 HZ1 LYS 20 HZ1 LYS 20 -0.902 34.111 -10.926 117 HZ2 LYS 20 HZ2 LYS 20 -1.990 35.008 -11.873 118 HZ3 LYS 20 HZ3 LYS 20 -2.537 34.199 -10.483 119 H LEU 21 H LEU 21 1.031 32.307 -10.126 120 HA LEU 21 HA LEU 21 3.437 33.000 -11.539 121 HB2 LEU 21 HB2 LEU 21 0.937 32.367 -13.041 122 HB3 LEU 21 HB1 LEU 21 2.578 31.780 -13.299 123 HG LEU 21 HG LEU 21 1.954 30.827 -10.765 124 HD11 LEU 21 1HD1 LEU 21 -0.423 31.523 -11.229 125 HD12 LEU 21 2HD1 LEU 21 -0.228 29.797 -10.924 126 HD13 LEU 21 3HD1 LEU 21 -0.436 30.383 -12.575 127 HD21 LEU 21 3HD2 LEU 21 2.512 28.850 -11.740 128 HD22 LEU 21 1HD2 LEU 21 2.830 29.830 -13.171 129 HD23 LEU 21 2HD2 LEU 21 1.278 29.013 -12.989 130 H ARG 22 H ARG 22 3.979 34.909 -12.342 131 HA ARG 22 HA ARG 22 2.058 37.084 -12.525 132 HB2 ARG 22 HB2 ARG 22 4.250 37.715 -11.881 133 HB3 ARG 22 HB1 ARG 22 4.989 36.816 -13.202 134 HG2 ARG 22 HG2 ARG 22 3.815 38.379 -14.806 135 HG3 ARG 22 HG1 ARG 22 3.334 39.344 -13.409 136 HD2 ARG 22 HD2 ARG 22 5.793 39.458 -12.782 137 HD3 ARG 22 HD1 ARG 22 6.145 38.754 -14.361 138 HE ARG 22 HE ARG 22 4.489 41.204 -14.342 139 HH11 ARG 22 1HH2 ARG 22 6.385 39.717 -16.428 140 HH12 ARG 22 2HH2 ARG 22 7.572 40.960 -16.636 141 HH21 ARG 22 1HH1 ARG 22 6.515 42.794 -13.888 142 HH22 ARG 22 2HH1 ARG 22 7.646 42.702 -15.197 143 HA PRO 23 HA PRO 23 2.739 36.447 -17.220 144 HB2 PRO 23 HB2 PRO 23 3.828 34.054 -18.022 145 HB3 PRO 23 HB1 PRO 23 4.786 35.509 -17.699 146 HG2 PRO 23 HG2 PRO 23 4.505 33.044 -16.051 147 HG3 PRO 23 HG1 PRO 23 5.842 34.204 -16.115 148 HD2 PRO 23 HD2 PRO 23 3.856 34.060 -14.106 149 HD3 PRO 23 HD1 PRO 23 5.003 35.392 -14.348 150 H GLY 24 H GLY 24 1.713 34.821 -18.923 151 HA2 GLY 24 HA2 GLY 24 -0.814 33.945 -17.835 152 HA3 GLY 24 HA1 GLY 24 -0.268 33.691 -19.492 153 H ALA 25 H ALA 25 0.598 32.530 -16.209 154 HA ALA 25 HA ALA 25 1.097 29.846 -17.407 155 HB1 ALA 25 HB1 ALA 25 2.205 31.353 -15.128 156 HB2 ALA 25 HB2 ALA 25 2.943 30.080 -16.101 157 HB3 ALA 25 HB3 ALA 25 1.863 29.661 -14.774 158 H GLN 26 H GLN 26 0.670 28.287 -15.105 159 HA GLN 26 HA GLN 26 -2.210 28.772 -14.479 160 HB2 GLN 26 HB2 GLN 26 -1.009 26.075 -15.160 161 HB3 GLN 26 HB1 GLN 26 -2.705 26.422 -14.836 162 HG2 GLN 26 HG2 GLN 26 -1.423 28.025 -16.986 163 HG3 GLN 26 HG1 GLN 26 -1.696 26.318 -17.337 164 HE21 GLN 26 1HE2 GLN 26 -3.866 25.622 -17.684 165 HE22 GLN 26 2HE2 GLN 26 -5.198 26.672 -17.635 166 H CYS 27 H CYS 27 0.579 26.674 -13.652 167 HA CYS 27 HA CYS 27 0.077 27.280 -10.795 168 HB2 CYS 27 HB2 CYS 27 -1.214 25.302 -10.981 169 HB3 CYS 27 HB1 CYS 27 -0.057 24.545 -12.069 170 H GLY 28 H GLY 28 1.986 27.522 -9.714 171 HA2 GLY 28 HA2 GLY 28 4.483 26.864 -11.179 172 HA3 GLY 28 HA1 GLY 28 4.359 27.977 -9.817 173 H GLU 29 H GLU 29 2.688 26.061 -8.274 174 HA GLU 29 HA GLU 29 4.700 23.923 -7.735 175 HB2 GLU 29 HB2 GLU 29 4.779 25.976 -6.137 176 HB3 GLU 29 HB1 GLU 29 3.262 25.341 -5.496 177 HG2 GLU 29 HG2 GLU 29 5.014 23.131 -5.714 178 HG3 GLU 29 HG1 GLU 29 5.952 24.435 -4.986 179 H GLY 30 H GLY 30 3.783 21.938 -7.249 180 HA2 GLY 30 HA2 GLY 30 1.389 21.292 -6.061 181 HA3 GLY 30 HA1 GLY 30 0.912 21.656 -7.721 182 H LEU 31 H LEU 31 0.311 19.255 -7.527 183 HA LEU 31 HA LEU 31 2.679 17.500 -7.972 184 HB2 LEU 31 HB2 LEU 31 -0.108 17.054 -6.975 185 HB3 LEU 31 HB1 LEU 31 0.701 15.728 -7.810 186 HG LEU 31 HG LEU 31 1.028 15.782 -5.286 187 HD11 LEU 31 1HD1 LEU 31 3.143 15.657 -7.373 188 HD12 LEU 31 2HD1 LEU 31 2.630 14.429 -6.216 189 HD13 LEU 31 3HD1 LEU 31 3.696 15.737 -5.701 190 HD21 LEU 31 3HD2 LEU 31 3.037 17.956 -5.806 191 HD22 LEU 31 1HD2 LEU 31 2.282 17.480 -4.284 192 HD23 LEU 31 2HD2 LEU 31 1.360 18.392 -5.479 193 H CYS 32 H CYS 32 0.439 19.254 -9.709 194 HA CYS 32 HA CYS 32 0.844 17.488 -12.071 195 HB2 CYS 32 HB2 CYS 32 -1.803 18.855 -11.665 196 HB3 CYS 32 HB1 CYS 32 -1.417 17.464 -12.673 197 H CYS 33 H CYS 33 2.219 19.904 -11.343 198 HA CYS 33 HA CYS 33 1.120 21.817 -13.364 199 HB2 CYS 33 HB2 CYS 33 3.178 22.508 -11.271 200 HB3 CYS 33 HB1 CYS 33 2.115 23.596 -12.161 201 H GLU 34 H GLU 34 2.153 21.284 -15.262 202 HA GLU 34 HA GLU 34 5.119 20.914 -15.140 203 HB2 GLU 34 HB2 GLU 34 3.066 19.409 -16.445 204 HB3 GLU 34 HB1 GLU 34 4.070 20.158 -17.687 205 HG2 GLU 34 HG2 GLU 34 6.097 19.284 -16.545 206 HG3 GLU 34 HG1 GLU 34 5.060 18.477 -15.367 207 H GLN 35 H GLN 35 6.311 22.536 -16.019 208 HA GLN 35 HA GLN 35 6.847 24.460 -17.249 209 HB2 GLN 35 HB2 GLN 35 5.389 22.745 -18.986 210 HB3 GLN 35 HB1 GLN 35 4.786 24.381 -19.254 211 HG2 GLN 35 HG2 GLN 35 6.630 24.819 -20.466 212 HG3 GLN 35 HG1 GLN 35 7.600 24.595 -19.010 213 HE21 GLN 35 1HE2 GLN 35 8.729 23.818 -21.452 214 HE22 GLN 35 2HE2 GLN 35 8.796 22.124 -21.541 215 H CYS 36 H CYS 36 4.985 24.674 -15.053 216 HA CYS 36 HA CYS 36 3.595 26.325 -14.126 217 HB2 CYS 36 HB2 CYS 36 3.815 27.858 -16.714 218 HB3 CYS 36 HB1 CYS 36 3.652 28.484 -15.068 219 H LYS 37 H LYS 37 2.731 24.184 -16.202 220 HA LYS 37 HA LYS 37 0.005 25.321 -16.652 221 HB2 LYS 37 HB2 LYS 37 1.869 24.029 -18.517 222 HB3 LYS 37 HB1 LYS 37 0.260 23.304 -18.521 223 HG2 LYS 37 HG2 LYS 37 -0.409 25.011 -19.832 224 HG3 LYS 37 HG1 LYS 37 -0.202 26.068 -18.435 225 HD2 LYS 37 HD2 LYS 37 2.321 26.075 -19.146 226 HD3 LYS 37 HD1 LYS 37 1.694 25.557 -20.711 227 HE2 LYS 37 HE2 LYS 37 0.246 27.820 -19.473 228 HE3 LYS 37 HE1 LYS 37 1.906 28.169 -19.954 229 HZ1 LYS 37 HZ1 LYS 37 -0.021 28.414 -21.653 230 HZ2 LYS 37 HZ2 LYS 37 0.143 26.730 -21.812 231 HZ3 LYS 37 HZ3 LYS 37 1.460 27.751 -22.146 232 H PHE 38 H PHE 38 -1.704 23.599 -16.685 233 HA PHE 38 HA PHE 38 -1.342 21.780 -14.454 234 HB2 PHE 38 HB2 PHE 38 -3.577 21.994 -16.496 235 HB3 PHE 38 HB1 PHE 38 -3.641 21.019 -15.028 236 HD1 PHE 38 HD2 PHE 38 -2.334 22.717 -13.040 237 HD2 PHE 38 HD1 PHE 38 -5.075 23.779 -16.172 238 HE1 PHE 38 HE2 PHE 38 -3.042 24.709 -11.744 239 HE2 PHE 38 HE1 PHE 38 -5.783 25.771 -14.876 240 HZ PHE 38 HZ PHE 38 -4.766 26.236 -12.662 241 H SER 39 H SER 39 -0.987 19.562 -14.511 242 HA SER 39 HA SER 39 0.433 18.417 -16.656 243 HB2 SER 39 HB2 SER 39 0.216 16.325 -15.509 244 HB3 SER 39 HB1 SER 39 0.269 17.568 -14.263 245 HG SER 39 HG SER 39 -2.167 17.486 -14.604 246 H ARG 40 H ARG 40 -2.139 16.241 -16.083 247 HA ARG 40 HA ARG 40 -3.573 17.097 -18.541 248 HB2 ARG 40 HB2 ARG 40 -2.077 14.529 -18.121 249 HB3 ARG 40 HB1 ARG 40 -3.532 14.530 -19.119 250 HG2 ARG 40 HG2 ARG 40 -1.447 16.635 -19.586 251 HG3 ARG 40 HG1 ARG 40 -1.180 15.009 -20.218 252 HD2 ARG 40 HD2 ARG 40 -3.350 15.101 -21.386 253 HD3 ARG 40 HD1 ARG 40 -3.625 16.724 -20.751 254 HE ARG 40 HE ARG 40 -1.251 16.178 -22.476 255 HH11 ARG 40 1HH1 ARG 40 -2.293 18.872 -21.268 256 HH12 ARG 40 2HH1 ARG 40 -2.936 19.604 -22.700 257 HH21 ARG 40 1HH2 ARG 40 -2.894 16.664 -24.540 258 HH22 ARG 40 2HH2 ARG 40 -3.272 18.355 -24.554 259 H ALA 41 H ALA 41 -5.574 15.599 -18.832 260 HA ALA 41 HA ALA 41 -7.023 15.601 -16.304 261 HB1 ALA 41 HB1 ALA 41 -8.913 14.761 -17.673 262 HB2 ALA 41 HB2 ALA 41 -7.822 14.579 -19.047 263 HB3 ALA 41 HB3 ALA 41 -8.166 16.183 -18.399 264 H GLY 42 H GLY 42 -5.057 13.961 -15.698 265 HA2 GLY 42 HA2 GLY 42 -5.998 11.632 -14.698 266 HA3 GLY 42 HA1 GLY 42 -5.730 11.173 -16.381 267 H LYS 43 H LYS 43 -3.833 13.325 -14.256 268 HA LYS 43 HA LYS 43 -1.407 11.793 -15.008 269 HB2 LYS 43 HB2 LYS 43 -1.076 14.130 -15.254 270 HB3 LYS 43 HB1 LYS 43 -1.875 14.488 -13.724 271 HG2 LYS 43 HG2 LYS 43 0.570 14.705 -13.505 272 HG3 LYS 43 HG1 LYS 43 -0.033 13.384 -12.503 273 HD2 LYS 43 HD2 LYS 43 0.591 11.761 -14.249 274 HD3 LYS 43 HD1 LYS 43 1.184 13.077 -15.265 275 HE2 LYS 43 HE2 LYS 43 2.936 13.603 -13.725 276 HE3 LYS 43 HE1 LYS 43 2.234 12.579 -12.472 277 HZ1 LYS 43 HZ1 LYS 43 2.556 10.909 -14.601 278 HZ2 LYS 43 HZ2 LYS 43 3.569 10.998 -13.241 279 HZ3 LYS 43 HZ3 LYS 43 3.952 11.872 -14.647 280 H ILE 44 H ILE 44 -0.619 10.282 -13.629 281 HA ILE 44 HA ILE 44 -1.822 9.656 -11.130 282 HB ILE 44 HB ILE 44 0.895 8.987 -12.273 283 HG12 ILE 44 2HG1 ILE 44 -1.262 8.122 -13.339 284 HG13 ILE 44 1HG1 ILE 44 -0.102 6.889 -12.844 285 HG21 ILE 44 1HG2 ILE 44 0.197 7.090 -10.322 286 HG22 ILE 44 2HG2 ILE 44 -0.114 8.656 -9.574 287 HG23 ILE 44 3HG2 ILE 44 1.487 8.287 -10.213 288 HD11 ILE 44 3HD1 ILE 44 -2.485 7.797 -11.201 289 HD12 ILE 44 1HD1 ILE 44 -1.344 6.527 -10.758 290 HD13 ILE 44 2HD1 ILE 44 -2.411 6.309 -12.145 291 H CYS 45 H CYS 45 -1.761 10.871 -9.318 292 HA CYS 45 HA CYS 45 0.659 12.554 -8.817 293 HB2 CYS 45 HB2 CYS 45 -0.925 13.779 -7.234 294 HB3 CYS 45 HB1 CYS 45 -1.265 13.958 -8.955 295 H ARG 46 H ARG 46 -1.361 10.002 -7.568 296 HA ARG 46 HA ARG 46 0.570 9.642 -5.347 297 HB2 ARG 46 HB2 ARG 46 -1.978 10.794 -4.954 298 HB3 ARG 46 HB1 ARG 46 -2.105 9.131 -4.379 299 HG2 ARG 46 HG2 ARG 46 -1.084 9.810 -2.487 300 HG3 ARG 46 HG1 ARG 46 0.384 10.008 -3.445 301 HD2 ARG 46 HD2 ARG 46 -1.107 12.295 -4.019 302 HD3 ARG 46 HD1 ARG 46 -1.355 12.046 -2.292 303 HE ARG 46 HE ARG 46 1.423 12.005 -3.364 304 HH11 ARG 46 1HH1 ARG 46 0.263 12.084 -0.432 305 HH12 ARG 46 2HH1 ARG 46 0.724 13.695 0.008 306 HH21 ARG 46 1HH2 ARG 46 1.454 14.657 -3.243 307 HH22 ARG 46 2HH2 ARG 46 1.398 15.152 -1.584 308 H ILE 47 H ILE 47 1.271 7.611 -5.707 309 HA ILE 47 HA ILE 47 -0.767 5.542 -6.412 310 HB ILE 47 HB ILE 47 0.872 6.091 -8.242 311 HG12 ILE 47 2HG1 ILE 47 -0.238 3.841 -7.964 312 HG13 ILE 47 1HG1 ILE 47 1.304 3.784 -8.814 313 HG21 ILE 47 1HG2 ILE 47 2.745 6.442 -6.469 314 HG22 ILE 47 2HG2 ILE 47 3.170 5.690 -8.007 315 HG23 ILE 47 3HG2 ILE 47 2.949 4.692 -6.570 316 HD11 ILE 47 3HD1 ILE 47 2.304 3.367 -6.427 317 HD12 ILE 47 1HD1 ILE 47 1.528 2.033 -7.280 318 HD13 ILE 47 2HD1 ILE 47 0.655 2.899 -6.016 319 HA PRO 48 HA PRO 48 0.838 4.179 -2.416 320 HB2 PRO 48 HB2 PRO 48 -1.357 2.623 -1.845 321 HB3 PRO 48 HB1 PRO 48 -1.287 4.369 -1.547 322 HG2 PRO 48 HG2 PRO 48 -2.726 2.888 -3.700 323 HG3 PRO 48 HG1 PRO 48 -3.106 4.456 -2.969 324 HD2 PRO 48 HD2 PRO 48 -1.864 4.065 -5.478 325 HD3 PRO 48 HD1 PRO 48 -1.927 5.594 -4.576 326 H ARG 49 H ARG 49 2.090 2.364 -2.077 327 HA ARG 49 HA ARG 49 2.199 0.311 -4.145 328 HB2 ARG 49 HB2 ARG 49 3.840 1.189 -1.907 329 HB3 ARG 49 HB1 ARG 49 3.714 -0.569 -1.959 330 HG2 ARG 49 HG2 ARG 49 4.541 -0.655 -4.203 331 HG3 ARG 49 HG1 ARG 49 4.377 1.090 -4.400 332 HD2 ARG 49 HD2 ARG 49 6.359 1.505 -3.379 333 HD3 ARG 49 HD1 ARG 49 6.044 0.328 -2.105 334 HE ARG 49 HE ARG 49 6.632 -1.007 -4.594 335 HH11 ARG 49 1HH2 ARG 49 7.713 -0.277 -1.494 336 HH12 ARG 49 2HH2 ARG 49 9.387 -0.579 -1.819 337 HH21 ARG 49 1HH1 ARG 49 8.929 -0.961 -5.234 338 HH22 ARG 49 2HH1 ARG 49 10.076 -0.966 -3.936 339 H LEU 50 H LEU 50 0.675 0.666 -1.031 340 HA LEU 50 HA LEU 50 0.362 -2.042 -0.279 341 HB2 LEU 50 HB2 LEU 50 -1.881 -1.122 0.720 342 HB3 LEU 50 HB1 LEU 50 -0.348 -0.506 1.337 343 HG LEU 50 HG LEU 50 -1.313 0.947 -1.025 344 HD11 LEU 50 1HD1 LEU 50 -2.907 2.161 0.828 345 HD12 LEU 50 2HD1 LEU 50 -3.097 0.469 1.287 346 HD13 LEU 50 3HD1 LEU 50 -3.493 0.988 -0.352 347 HD21 LEU 50 3HD2 LEU 50 -0.906 2.250 1.612 348 HD22 LEU 50 1HD2 LEU 50 -0.257 2.683 0.031 349 HD23 LEU 50 2HD2 LEU 50 0.484 1.381 0.962 350 H ASP 51 H ASP 51 -2.811 -0.900 -0.868 351 HA ASP 51 HA ASP 51 -3.023 -2.290 -3.470 352 HB2 ASP 51 HB2 ASP 51 -3.789 -3.467 -0.927 353 HB3 ASP 51 HB1 ASP 51 -5.188 -3.292 -1.986 354 H MET 52 H MET 52 -3.338 0.458 -2.856 355 HA MET 52 HA MET 52 -6.301 0.829 -2.930 356 HB2 MET 52 HB2 MET 52 -4.100 2.324 -1.741 357 HB3 MET 52 HB1 MET 52 -5.094 3.349 -2.778 358 HG2 MET 52 HG2 MET 52 -7.010 1.912 -1.447 359 HG3 MET 52 HG1 MET 52 -5.763 2.059 -0.209 360 HE1 MET 52 HE1 MET 52 -6.406 5.135 1.360 361 HE2 MET 52 HE2 MET 52 -5.830 3.472 1.301 362 HE3 MET 52 HE3 MET 52 -7.561 3.796 1.342 363 HA PRO 53 HA PRO 53 -6.140 2.295 -7.066 364 HB2 PRO 53 HB2 PRO 53 -7.729 4.538 -6.989 365 HB3 PRO 53 HB1 PRO 53 -8.361 2.884 -6.898 366 HG2 PRO 53 HG2 PRO 53 -8.071 4.905 -4.724 367 HG3 PRO 53 HG1 PRO 53 -9.216 3.560 -4.860 368 HD2 PRO 53 HD2 PRO 53 -6.883 3.585 -3.261 369 HD3 PRO 53 HD1 PRO 53 -7.840 2.149 -3.686 370 H ASP 54 H ASP 54 -4.899 3.648 -8.393 371 HA ASP 54 HA ASP 54 -3.028 5.446 -7.065 372 HB2 ASP 54 HB2 ASP 54 -3.434 5.073 -10.043 373 HB3 ASP 54 HB1 ASP 54 -1.985 5.657 -9.223 374 H ASP 55 H ASP 55 -3.390 7.573 -6.703 375 HA ASP 55 HA ASP 55 -5.786 8.887 -7.642 376 HB2 ASP 55 HB2 ASP 55 -3.311 9.815 -6.188 377 HB3 ASP 55 HB1 ASP 55 -4.544 10.962 -6.714 378 H ARG 56 H ARG 56 -6.016 10.394 -9.314 379 HA ARG 56 HA ARG 56 -3.590 10.894 -10.988 380 HB2 ARG 56 HB2 ARG 56 -6.037 9.487 -11.700 381 HB3 ARG 56 HB1 ARG 56 -5.774 10.886 -12.743 382 HG2 ARG 56 HG2 ARG 56 -3.771 10.061 -13.577 383 HG3 ARG 56 HG1 ARG 56 -3.453 9.091 -12.140 384 HD2 ARG 56 HD2 ARG 56 -4.110 7.389 -13.532 385 HD3 ARG 56 HD1 ARG 56 -5.709 7.881 -12.972 386 HE ARG 56 HE ARG 56 -4.893 9.382 -15.313 387 HH11 ARG 56 1HH2 ARG 56 -7.488 7.802 -14.305 388 HH12 ARG 56 2HH2 ARG 56 -7.736 6.804 -15.699 389 HH21 ARG 56 1HH1 ARG 56 -4.624 7.485 -17.069 390 HH22 ARG 56 2HH1 ARG 56 -6.116 6.626 -17.263 391 H CYS 57 H CYS 57 -3.646 12.925 -12.140 392 HA CYS 57 HA CYS 57 -5.099 15.017 -10.720 393 HB2 CYS 57 HB2 CYS 57 -3.509 15.274 -13.288 394 HB3 CYS 57 HB1 CYS 57 -3.889 16.552 -12.136 395 H THR 58 H THR 58 -6.909 16.125 -11.429 396 HA THR 58 HA THR 58 -8.558 14.852 -13.443 397 HB THR 58 HB THR 58 -10.234 16.382 -12.806 398 HG1 THR 58 HG1 THR 58 -9.429 18.345 -13.051 399 HG21 THR 58 3HG2 THR 58 -8.617 15.173 -10.821 400 HG22 THR 58 1HG2 THR 58 -10.311 15.644 -10.685 401 HG23 THR 58 2HG2 THR 58 -9.041 16.774 -10.216 402 H GLY 59 H GLY 59 -5.947 16.870 -13.771 403 HA2 GLY 59 HA2 GLY 59 -5.154 17.714 -15.871 404 HA3 GLY 59 HA1 GLY 59 -6.796 17.602 -16.507 405 H GLN 60 H GLN 60 -7.834 18.968 -14.019 406 HA GLN 60 HA GLN 60 -7.063 21.741 -14.827 407 HB2 GLN 60 HB2 GLN 60 -9.577 20.937 -13.347 408 HB3 GLN 60 HB1 GLN 60 -9.252 22.454 -14.188 409 HG2 GLN 60 HG2 GLN 60 -9.667 21.556 -16.258 410 HG3 GLN 60 HG1 GLN 60 -9.045 19.967 -15.808 411 HE21 GLN 60 1HE2 GLN 60 -10.646 18.404 -15.589 412 HE22 GLN 60 2HE2 GLN 60 -12.265 18.713 -15.185 413 H SER 61 H SER 61 -6.928 19.457 -12.286 414 HA SER 61 HA SER 61 -6.622 21.568 -10.217 415 HB2 SER 61 HB2 SER 61 -6.456 19.596 -8.657 416 HB3 SER 61 HB1 SER 61 -7.977 19.681 -9.541 417 HG SER 61 HG SER 61 -6.203 17.715 -9.502 418 H ALA 62 H ALA 62 -4.599 22.405 -10.027 419 HA ALA 62 HA ALA 62 -2.254 21.180 -11.129 420 HB1 ALA 62 HB1 ALA 62 -1.779 23.392 -10.855 421 HB2 ALA 62 HB2 ALA 62 -1.265 22.897 -9.242 422 HB3 ALA 62 HB3 ALA 62 -2.881 23.556 -9.489 423 H ASP 63 H ASP 63 -3.559 21.316 -7.817 424 HA ASP 63 HA ASP 63 -1.382 19.556 -6.872 425 HB2 ASP 63 HB2 ASP 63 -3.742 20.393 -5.207 426 HB3 ASP 63 HB1 ASP 63 -2.088 20.056 -4.696 427 H CYS 64 H CYS 64 -2.129 17.639 -5.468 428 HA CYS 64 HA CYS 64 -4.323 16.233 -6.929 429 HB2 CYS 64 HB2 CYS 64 -2.106 15.181 -7.119 430 HB3 CYS 64 HB1 CYS 64 -1.989 15.093 -5.364 431 HA PRO 65 HA PRO 65 -6.321 16.762 -2.974 432 HB2 PRO 65 HB2 PRO 65 -8.811 16.364 -4.043 433 HB3 PRO 65 HB1 PRO 65 -7.993 17.927 -4.050 434 HG2 PRO 65 HG2 PRO 65 -8.459 16.015 -6.283 435 HG3 PRO 65 HG1 PRO 65 -8.197 17.766 -6.345 436 HD2 PRO 65 HD2 PRO 65 -6.278 15.781 -6.933 437 HD3 PRO 65 HD1 PRO 65 -5.954 17.507 -6.671 438 H ARG 66 H ARG 66 -8.383 14.609 -4.860 439 HA ARG 66 HA ARG 66 -7.332 12.220 -3.476 440 HB2 ARG 66 HB2 ARG 66 -9.644 11.634 -2.660 441 HB3 ARG 66 HB1 ARG 66 -8.930 13.025 -1.846 442 HG2 ARG 66 HG2 ARG 66 -10.398 13.772 -4.266 443 HG3 ARG 66 HG1 ARG 66 -11.421 12.979 -3.067 444 HD2 ARG 66 HD2 ARG 66 -9.757 14.762 -1.633 445 HD3 ARG 66 HD1 ARG 66 -10.351 15.656 -3.032 446 HE ARG 66 HE ARG 66 -12.676 14.757 -2.240 447 HH11 ARG 66 1HH2 ARG 66 -10.529 14.045 0.144 448 HH12 ARG 66 2HH2 ARG 66 -11.233 15.048 1.368 449 HH21 ARG 66 1HH1 ARG 66 -13.365 16.683 -0.825 450 HH22 ARG 66 2HH1 ARG 66 -12.839 16.541 0.819 451 H TYR 67 H TYR 67 -9.440 10.482 -4.103 452 HA TYR 67 HA TYR 67 -8.989 10.086 -6.929 453 HB2 TYR 67 HB2 TYR 67 -9.618 8.382 -4.988 454 HB3 TYR 67 HB1 TYR 67 -11.261 8.743 -5.516 455 HD1 TYR 67 HD2 TYR 67 -7.942 8.204 -7.197 456 HD2 TYR 67 HD1 TYR 67 -12.119 7.214 -7.040 457 HE1 TYR 67 HE2 TYR 67 -7.656 6.689 -9.140 458 HE2 TYR 67 HE1 TYR 67 -11.833 5.700 -8.983 459 HH TYR 67 HH TYR 67 -9.088 4.477 -9.972 460 H HIS 68 H HIS 68 -11.584 11.529 -5.030 461 HA HIS 68 HA HIS 68 -12.636 12.830 -7.418 462 HB2 HIS 68 HB2 HIS 68 -14.849 11.840 -7.380 463 HB3 HIS 68 HB1 HIS 68 -13.669 10.537 -7.525 464 HD1 HIS 68 HD1 HIS 68 -16.665 10.936 -5.917 465 HD2 HIS 68 HD2 HIS 68 -12.884 9.999 -4.432 466 HE1 HIS 68 HE1 HIS 68 -17.034 9.809 -3.680 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -10.938 36.027 1.784 2 H2 GLY 1 HT2 GLY 1 -10.588 37.637 1.371 3 H3 GLY 1 HT3 GLY 1 -9.342 36.482 1.429 4 HA2 GLY 1 HA1 GLY 1 -11.474 35.738 -0.345 5 HA3 GLY 1 HA2 GLY 1 -10.674 37.241 -0.804 6 H LYS 2 H LYS 2 -8.794 37.037 -1.927 7 HA LYS 2 HA LYS 2 -7.081 34.661 -1.501 8 HB2 LYS 2 HB2 LYS 2 -8.810 34.238 -3.386 9 HB3 LYS 2 HB1 LYS 2 -7.879 35.414 -4.314 10 HG2 LYS 2 HG2 LYS 2 -6.227 33.927 -4.707 11 HG3 LYS 2 HG1 LYS 2 -6.154 33.461 -3.009 12 HD2 LYS 2 HD2 LYS 2 -8.579 32.400 -3.938 13 HD3 LYS 2 HD1 LYS 2 -7.420 32.082 -5.229 14 HE2 LYS 2 HE2 LYS 2 -5.848 31.161 -3.491 15 HE3 LYS 2 HE1 LYS 2 -7.149 31.315 -2.311 16 HZ1 LYS 2 HZ1 LYS 2 -7.291 29.135 -3.095 17 HZ2 LYS 2 HZ2 LYS 2 -7.046 29.593 -4.713 18 HZ3 LYS 2 HZ3 LYS 2 -8.512 29.957 -3.936 19 H GLU 3 H GLU 3 -4.897 35.100 -1.995 20 HA GLU 3 HA GLU 3 -4.265 37.673 -3.311 21 HB2 GLU 3 HB2 GLU 3 -4.483 37.880 -0.711 22 HB3 GLU 3 HB1 GLU 3 -2.925 37.052 -0.698 23 HG2 GLU 3 HG2 GLU 3 -2.382 38.901 -2.566 24 HG3 GLU 3 HG1 GLU 3 -3.608 39.789 -1.659 25 H CYS 4 H CYS 4 -2.812 34.898 -1.615 26 HA CYS 4 HA CYS 4 -0.814 34.830 -3.828 27 HB2 CYS 4 HB2 CYS 4 -0.328 33.901 -0.993 28 HB3 CYS 4 HB1 CYS 4 0.861 34.025 -2.287 29 H ASP 5 H ASP 5 -1.235 33.093 -5.119 30 HA ASP 5 HA ASP 5 -2.362 30.639 -3.848 31 HB2 ASP 5 HB2 ASP 5 -2.799 31.996 -6.372 32 HB3 ASP 5 HB1 ASP 5 -2.299 30.327 -6.648 33 H CYS 6 H CYS 6 0.440 31.960 -5.382 34 HA CYS 6 HA CYS 6 1.670 29.234 -5.476 35 HB2 CYS 6 HB2 CYS 6 3.026 29.941 -7.294 36 HB3 CYS 6 HB1 CYS 6 1.440 30.614 -7.654 37 H SER 7 H SER 7 4.310 29.733 -5.346 38 HA SER 7 HA SER 7 4.765 31.704 -3.172 39 HB2 SER 7 HB2 SER 7 4.271 29.221 -2.385 40 HB3 SER 7 HB1 SER 7 5.951 28.973 -2.850 41 HG SER 7 HG SER 7 5.349 29.767 -0.599 42 H SER 8 H SER 8 5.571 31.648 -5.977 43 HA SER 8 HA SER 8 8.517 31.654 -5.541 44 HB2 SER 8 HB2 SER 8 7.933 30.963 -8.270 45 HB3 SER 8 HB1 SER 8 8.865 30.056 -7.083 46 HG SER 8 HG SER 8 6.942 28.985 -7.901 47 HA PRO 9 HA PRO 9 7.899 35.661 -7.358 48 HB2 PRO 9 HB2 PRO 9 10.545 36.401 -7.319 49 HB3 PRO 9 HB1 PRO 9 9.502 36.421 -5.886 50 HG2 PRO 9 HG2 PRO 9 11.667 34.504 -6.602 51 HG3 PRO 9 HG1 PRO 9 11.034 34.937 -5.005 52 HD2 PRO 9 HD2 PRO 9 10.416 32.581 -6.468 53 HD3 PRO 9 HD1 PRO 9 9.584 33.164 -5.010 54 H GLU 10 H GLU 10 8.879 33.028 -8.952 55 HA GLU 10 HA GLU 10 9.660 34.593 -11.374 56 HB2 GLU 10 HB2 GLU 10 11.480 33.095 -10.145 57 HB3 GLU 10 HB1 GLU 10 10.664 31.795 -11.017 58 HG2 GLU 10 HG2 GLU 10 11.467 32.479 -13.029 59 HG3 GLU 10 HG1 GLU 10 11.197 34.183 -12.657 60 H ASN 11 H ASN 11 7.059 33.463 -10.357 61 HA ASN 11 HA ASN 11 6.538 31.426 -12.466 62 HB2 ASN 11 HB2 ASN 11 5.734 31.604 -9.783 63 HB3 ASN 11 HB1 ASN 11 4.290 31.997 -10.715 64 HD21 ASN 11 1HD2 ASN 11 4.277 29.578 -9.325 65 HD22 ASN 11 2HD2 ASN 11 4.426 28.281 -10.411 66 HA PRO 12 HA PRO 12 4.514 34.656 -14.723 67 HB2 PRO 12 HB2 PRO 12 3.500 33.046 -16.706 68 HB3 PRO 12 HB1 PRO 12 5.193 33.566 -16.634 69 HG2 PRO 12 HG2 PRO 12 4.021 30.895 -16.012 70 HG3 PRO 12 HG1 PRO 12 5.658 31.303 -16.552 71 HD2 PRO 12 HD2 PRO 12 4.890 30.680 -13.899 72 HD3 PRO 12 HD1 PRO 12 6.437 31.395 -14.399 73 H CYS 13 H CYS 13 2.723 31.602 -14.200 74 HA CYS 13 HA CYS 13 0.112 32.508 -14.650 75 HB2 CYS 13 HB2 CYS 13 1.042 30.636 -12.450 76 HB3 CYS 13 HB1 CYS 13 -0.611 30.771 -13.047 77 H CYS 14 H CYS 14 1.555 32.287 -11.386 78 HA CYS 14 HA CYS 14 -0.376 34.239 -10.374 79 HB2 CYS 14 HB2 CYS 14 0.632 33.831 -8.215 80 HB3 CYS 14 HB1 CYS 14 0.439 32.281 -9.033 81 H ASP 15 H ASP 15 -0.051 36.383 -10.223 82 HA ASP 15 HA ASP 15 2.355 37.610 -11.259 83 HB2 ASP 15 HB2 ASP 15 -0.254 38.505 -10.163 84 HB3 ASP 15 HB1 ASP 15 1.085 39.638 -9.964 85 H ALA 16 H ALA 16 4.025 38.612 -10.085 86 HA ALA 16 HA ALA 16 4.490 37.585 -7.407 87 HB1 ALA 16 HB1 ALA 16 6.598 37.965 -8.101 88 HB2 ALA 16 HB2 ALA 16 6.297 39.693 -7.911 89 HB3 ALA 16 HB3 ALA 16 6.017 38.917 -9.469 90 H ALA 17 H ALA 17 3.825 40.834 -8.748 91 HA ALA 17 HA ALA 17 3.908 42.287 -6.333 92 HB1 ALA 17 HB1 ALA 17 2.286 42.622 -8.855 93 HB2 ALA 17 HB2 ALA 17 3.667 43.570 -8.301 94 HB3 ALA 17 HB3 ALA 17 2.104 43.738 -7.501 95 H THR 18 H THR 18 1.347 40.242 -7.661 96 HA THR 18 HA THR 18 -0.188 40.697 -5.132 97 HB THR 18 HB THR 18 -1.476 41.459 -7.038 98 HG1 THR 18 HG1 THR 18 -2.336 39.841 -5.371 99 HG21 THR 18 3HG2 THR 18 -1.974 39.215 -8.600 100 HG22 THR 18 1HG2 THR 18 -0.241 39.127 -8.285 101 HG23 THR 18 2HG2 THR 18 -0.928 40.567 -9.035 102 H CYS 19 H CYS 19 1.965 38.661 -6.191 103 HA CYS 19 HA CYS 19 2.340 36.335 -6.137 104 HB2 CYS 19 HB2 CYS 19 1.707 35.378 -3.895 105 HB3 CYS 19 HB1 CYS 19 2.601 36.891 -3.807 106 H LYS 20 H LYS 20 -0.401 37.115 -7.392 107 HA LYS 20 HA LYS 20 -1.473 34.348 -7.133 108 HB2 LYS 20 HB2 LYS 20 -3.821 35.433 -7.274 109 HB3 LYS 20 HB1 LYS 20 -2.987 35.451 -5.722 110 HG2 LYS 20 HG2 LYS 20 -3.209 37.686 -5.695 111 HG3 LYS 20 HG1 LYS 20 -2.118 37.762 -7.078 112 HD2 LYS 20 HD2 LYS 20 -4.239 38.900 -7.592 113 HD3 LYS 20 HD1 LYS 20 -4.043 37.468 -8.605 114 HE2 LYS 20 HE2 LYS 20 -5.697 36.288 -7.503 115 HE3 LYS 20 HE1 LYS 20 -5.450 37.155 -5.986 116 HZ1 LYS 20 HZ1 LYS 20 -6.712 38.252 -8.440 117 HZ2 LYS 20 HZ2 LYS 20 -6.436 39.122 -7.007 118 HZ3 LYS 20 HZ3 LYS 20 -7.519 37.813 -7.014 119 H LEU 21 H LEU 21 -2.953 33.770 -8.906 120 HA LEU 21 HA LEU 21 -1.852 34.361 -11.448 121 HB2 LEU 21 HB2 LEU 21 -4.710 33.483 -11.141 122 HB3 LEU 21 HB1 LEU 21 -3.522 32.988 -12.345 123 HG LEU 21 HG LEU 21 -2.402 32.302 -9.855 124 HD11 LEU 21 1HD1 LEU 21 -4.956 32.602 -9.216 125 HD12 LEU 21 2HD1 LEU 21 -4.031 31.235 -8.595 126 HD13 LEU 21 3HD1 LEU 21 -5.105 31.018 -9.977 127 HD21 LEU 21 3HD2 LEU 21 -1.941 30.545 -11.172 128 HD22 LEU 21 1HD2 LEU 21 -3.126 31.106 -12.352 129 HD23 LEU 21 2HD2 LEU 21 -3.622 30.025 -11.050 130 H ARG 22 H ARG 22 -1.969 36.187 -12.595 131 HA ARG 22 HA ARG 22 -3.853 38.294 -11.864 132 HB2 ARG 22 HB2 ARG 22 -1.352 38.279 -12.992 133 HB3 ARG 22 HB1 ARG 22 -2.375 38.604 -14.392 134 HG2 ARG 22 HG2 ARG 22 -2.373 40.148 -11.783 135 HG3 ARG 22 HG1 ARG 22 -1.751 40.716 -13.333 136 HD2 ARG 22 HD2 ARG 22 -4.308 39.933 -13.992 137 HD3 ARG 22 HD1 ARG 22 -4.525 40.585 -12.368 138 HE ARG 22 HE ARG 22 -3.816 42.120 -14.752 139 HH11 ARG 22 1HH1 ARG 22 -5.184 42.401 -11.783 140 HH12 ARG 22 2HH1 ARG 22 -4.393 43.871 -11.321 141 HH21 ARG 22 1HH2 ARG 22 -2.154 43.808 -13.968 142 HH22 ARG 22 2HH2 ARG 22 -2.678 44.665 -12.558 143 HA PRO 23 HA PRO 23 -5.615 37.349 -16.197 144 HB2 PRO 23 HB2 PRO 23 -4.709 35.089 -17.473 145 HB3 PRO 23 HB1 PRO 23 -3.973 36.690 -17.663 146 HG2 PRO 23 HG2 PRO 23 -2.970 34.336 -16.139 147 HG3 PRO 23 HG1 PRO 23 -2.063 35.678 -16.852 148 HD2 PRO 23 HD2 PRO 23 -2.719 35.378 -14.111 149 HD3 PRO 23 HD1 PRO 23 -2.082 36.847 -14.880 150 H GLY 24 H GLY 24 -7.129 35.553 -17.141 151 HA2 GLY 24 HA2 GLY 24 -8.573 34.361 -14.955 152 HA3 GLY 24 HA1 GLY 24 -8.908 34.099 -16.666 153 H ALA 25 H ALA 25 -6.481 33.204 -14.187 154 HA ALA 25 HA ALA 25 -6.142 30.608 -15.618 155 HB1 ALA 25 HB1 ALA 25 -4.167 30.487 -13.862 156 HB2 ALA 25 HB2 ALA 25 -4.400 32.234 -13.798 157 HB3 ALA 25 HB3 ALA 25 -3.994 31.454 -15.327 158 H GLN 26 H GLN 26 -5.497 28.830 -13.819 159 HA GLN 26 HA GLN 26 -7.791 28.820 -11.915 160 HB2 GLN 26 HB2 GLN 26 -6.040 26.479 -12.707 161 HB3 GLN 26 HB1 GLN 26 -7.620 26.424 -11.932 162 HG2 GLN 26 HG2 GLN 26 -7.070 27.466 -14.726 163 HG3 GLN 26 HG1 GLN 26 -7.806 25.910 -14.339 164 HE21 GLN 26 1HE2 GLN 26 -9.571 26.638 -12.262 165 HE22 GLN 26 2HE2 GLN 26 -10.735 27.717 -12.866 166 H CYS 27 H CYS 27 -4.450 27.531 -11.972 167 HA CYS 27 HA CYS 27 -3.976 28.761 -9.321 168 HB2 CYS 27 HB2 CYS 27 -2.909 26.405 -8.720 169 HB3 CYS 27 HB1 CYS 27 -4.619 26.718 -8.432 170 H GLY 28 H GLY 28 -1.671 28.839 -8.797 171 HA2 GLY 28 HA2 GLY 28 -0.016 28.929 -11.244 172 HA3 GLY 28 HA1 GLY 28 0.415 29.623 -9.685 173 H GLU 29 H GLU 29 -0.369 27.084 -8.307 174 HA GLU 29 HA GLU 29 1.706 25.226 -9.336 175 HB2 GLU 29 HB2 GLU 29 1.685 25.764 -6.400 176 HB3 GLU 29 HB1 GLU 29 3.016 25.277 -7.445 177 HG2 GLU 29 HG2 GLU 29 3.008 27.550 -8.466 178 HG3 GLU 29 HG1 GLU 29 1.757 28.028 -7.318 179 H GLY 30 H GLY 30 1.630 23.127 -7.962 180 HA2 GLY 30 HA2 GLY 30 -0.111 22.083 -6.269 181 HA3 GLY 30 HA1 GLY 30 -1.238 22.446 -7.576 182 H LEU 31 H LEU 31 -0.416 19.800 -6.495 183 HA LEU 31 HA LEU 31 1.385 18.486 -8.282 184 HB2 LEU 31 HB2 LEU 31 -0.914 17.479 -6.595 185 HB3 LEU 31 HB1 LEU 31 0.082 16.398 -7.570 186 HG LEU 31 HG LEU 31 1.858 18.101 -6.151 187 HD11 LEU 31 1HD1 LEU 31 1.213 17.518 -3.811 188 HD12 LEU 31 2HD1 LEU 31 -0.312 16.875 -4.421 189 HD13 LEU 31 3HD1 LEU 31 0.050 18.594 -4.585 190 HD21 LEU 31 3HD2 LEU 31 2.040 15.653 -6.928 191 HD22 LEU 31 1HD2 LEU 31 1.160 15.241 -5.455 192 HD23 LEU 31 2HD2 LEU 31 2.732 16.035 -5.352 193 H CYS 32 H CYS 32 -1.718 19.771 -8.825 194 HA CYS 32 HA CYS 32 -1.856 18.287 -11.408 195 HB2 CYS 32 HB2 CYS 32 -4.343 18.970 -9.848 196 HB3 CYS 32 HB1 CYS 32 -4.152 17.810 -11.164 197 H CYS 33 H CYS 33 -0.788 20.887 -11.025 198 HA CYS 33 HA CYS 33 -2.859 22.493 -12.459 199 HB2 CYS 33 HB2 CYS 33 -2.413 23.180 -10.003 200 HB3 CYS 33 HB1 CYS 33 -0.853 23.756 -10.591 201 H GLU 34 H GLU 34 -2.116 22.919 -14.468 202 HA GLU 34 HA GLU 34 0.767 23.597 -14.799 203 HB2 GLU 34 HB2 GLU 34 0.728 21.315 -15.493 204 HB3 GLU 34 HB1 GLU 34 -0.804 21.522 -16.341 205 HG2 GLU 34 HG2 GLU 34 0.181 22.485 -18.174 206 HG3 GLU 34 HG1 GLU 34 1.433 23.276 -17.214 207 H GLN 35 H GLN 35 1.131 25.172 -16.391 208 HA GLN 35 HA GLN 35 0.582 26.927 -17.852 209 HB2 GLN 35 HB2 GLN 35 -0.726 24.663 -18.826 210 HB3 GLN 35 HB1 GLN 35 -1.996 25.884 -18.744 211 HG2 GLN 35 HG2 GLN 35 -1.159 26.944 -20.543 212 HG3 GLN 35 HG1 GLN 35 0.425 27.066 -19.776 213 HE21 GLN 35 1HE2 GLN 35 2.058 25.915 -20.810 214 HE22 GLN 35 2HE2 GLN 35 1.814 24.588 -21.841 215 H CYS 36 H CYS 36 -0.291 27.050 -15.103 216 HA CYS 36 HA CYS 36 -1.695 28.370 -13.761 217 HB2 CYS 36 HB2 CYS 36 -2.847 29.666 -16.212 218 HB3 CYS 36 HB1 CYS 36 -2.406 30.395 -14.665 219 H LYS 37 H LYS 37 -2.640 25.858 -15.290 220 HA LYS 37 HA LYS 37 -5.510 26.208 -14.596 221 HB2 LYS 37 HB2 LYS 37 -4.514 24.962 -17.178 222 HB3 LYS 37 HB1 LYS 37 -6.196 25.041 -16.654 223 HG2 LYS 37 HG2 LYS 37 -5.065 27.671 -16.496 224 HG3 LYS 37 HG1 LYS 37 -4.727 27.006 -18.095 225 HD2 LYS 37 HD2 LYS 37 -7.169 26.341 -18.224 226 HD3 LYS 37 HD1 LYS 37 -7.428 27.282 -16.754 227 HE2 LYS 37 HE2 LYS 37 -7.935 28.682 -18.679 228 HE3 LYS 37 HE1 LYS 37 -6.460 29.275 -17.915 229 HZ1 LYS 37 HZ1 LYS 37 -6.228 27.273 -20.043 230 HZ2 LYS 37 HZ2 LYS 37 -5.162 28.523 -19.612 231 HZ3 LYS 37 HZ3 LYS 37 -6.578 28.873 -20.483 232 H PHE 38 H PHE 38 -6.598 24.043 -14.361 233 HA PHE 38 HA PHE 38 -4.932 22.242 -12.835 234 HB2 PHE 38 HB2 PHE 38 -7.710 21.734 -13.942 235 HB3 PHE 38 HB1 PHE 38 -6.937 20.885 -12.602 236 HD1 PHE 38 HD2 PHE 38 -5.792 22.801 -10.891 237 HD2 PHE 38 HD1 PHE 38 -9.383 23.177 -13.216 238 HE1 PHE 38 HE2 PHE 38 -6.634 24.518 -9.312 239 HE2 PHE 38 HE1 PHE 38 -10.226 24.893 -11.639 240 HZ PHE 38 HZ PHE 38 -8.851 25.564 -9.686 241 H SER 39 H SER 39 -4.646 19.913 -13.376 242 HA SER 39 HA SER 39 -3.678 19.606 -16.095 243 HB2 SER 39 HB2 SER 39 -3.875 17.762 -13.718 244 HB3 SER 39 HB1 SER 39 -3.356 17.171 -15.294 245 HG SER 39 HG SER 39 -1.671 18.653 -15.249 246 H ARG 40 H ARG 40 -5.440 16.925 -14.756 247 HA ARG 40 HA ARG 40 -7.683 17.378 -16.652 248 HB2 ARG 40 HB2 ARG 40 -5.765 15.054 -16.646 249 HB3 ARG 40 HB1 ARG 40 -7.416 14.853 -17.230 250 HG2 ARG 40 HG2 ARG 40 -6.915 16.984 -18.652 251 HG3 ARG 40 HG1 ARG 40 -5.223 16.593 -18.337 252 HD2 ARG 40 HD2 ARG 40 -5.404 14.474 -19.403 253 HD3 ARG 40 HD1 ARG 40 -7.165 14.541 -19.406 254 HE ARG 40 HE ARG 40 -5.405 15.790 -21.364 255 HH11 ARG 40 1HH2 ARG 40 -8.358 14.634 -21.376 256 HH12 ARG 40 2HH2 ARG 40 -9.198 16.048 -21.918 257 HH21 ARG 40 1HH1 ARG 40 -6.519 18.177 -21.362 258 HH22 ARG 40 2HH1 ARG 40 -8.157 18.053 -21.911 259 H ALA 41 H ALA 41 -9.554 15.985 -16.149 260 HA ALA 41 HA ALA 41 -9.943 15.688 -13.297 261 HB1 ALA 41 HB1 ALA 41 -11.853 14.214 -14.934 262 HB2 ALA 41 HB2 ALA 41 -11.602 15.851 -15.540 263 HB3 ALA 41 HB3 ALA 41 -12.125 15.599 -13.875 264 H GLY 42 H GLY 42 -7.801 14.235 -13.513 265 HA2 GLY 42 HA2 GLY 42 -8.146 11.770 -12.436 266 HA3 GLY 42 HA1 GLY 42 -8.388 11.425 -14.150 267 H LYS 43 H LYS 43 -6.157 13.709 -12.567 268 HA LYS 43 HA LYS 43 -3.953 12.592 -14.195 269 HB2 LYS 43 HB2 LYS 43 -3.961 14.956 -14.241 270 HB3 LYS 43 HB1 LYS 43 -4.297 15.076 -12.515 271 HG2 LYS 43 HG2 LYS 43 -1.969 15.641 -12.869 272 HG3 LYS 43 HG1 LYS 43 -2.033 14.069 -12.074 273 HD2 LYS 43 HD2 LYS 43 -1.039 13.049 -13.825 274 HD3 LYS 43 HD1 LYS 43 -2.140 13.811 -14.975 275 HE2 LYS 43 HE2 LYS 43 -0.786 15.753 -15.152 276 HE3 LYS 43 HE1 LYS 43 0.130 15.344 -13.701 277 HZ1 LYS 43 HZ1 LYS 43 1.202 14.893 -15.952 278 HZ2 LYS 43 HZ2 LYS 43 0.133 13.577 -16.067 279 HZ3 LYS 43 HZ3 LYS 43 1.257 13.652 -14.796 280 H ILE 44 H ILE 44 -2.594 11.102 -13.347 281 HA ILE 44 HA ILE 44 -2.821 10.108 -10.689 282 HB ILE 44 HB ILE 44 -0.527 9.914 -12.658 283 HG12 ILE 44 2HG1 ILE 44 -2.810 8.991 -13.305 284 HG13 ILE 44 1HG1 ILE 44 -1.499 7.811 -13.289 285 HG21 ILE 44 1HG2 ILE 44 -0.934 8.862 -9.913 286 HG22 ILE 44 2HG2 ILE 44 0.566 9.181 -10.785 287 HG23 ILE 44 3HG2 ILE 44 -0.339 7.700 -11.100 288 HD11 ILE 44 3HD1 ILE 44 -2.277 6.762 -11.375 289 HD12 ILE 44 1HD1 ILE 44 -3.806 7.292 -12.077 290 HD13 ILE 44 2HD1 ILE 44 -3.066 8.220 -10.773 291 H CYS 45 H CYS 45 -2.376 11.325 -8.918 292 HA CYS 45 HA CYS 45 -0.041 13.184 -9.020 293 HB2 CYS 45 HB2 CYS 45 -1.107 14.136 -6.927 294 HB3 CYS 45 HB1 CYS 45 -2.044 14.349 -8.405 295 H ARG 46 H ARG 46 -1.065 10.189 -7.790 296 HA ARG 46 HA ARG 46 1.403 9.934 -6.224 297 HB2 ARG 46 HB2 ARG 46 -0.881 10.810 -4.879 298 HB3 ARG 46 HB1 ARG 46 -0.845 9.074 -4.570 299 HG2 ARG 46 HG2 ARG 46 0.969 9.245 -3.229 300 HG3 ARG 46 HG1 ARG 46 1.799 10.318 -4.358 301 HD2 ARG 46 HD2 ARG 46 -0.505 11.578 -3.047 302 HD3 ARG 46 HD1 ARG 46 0.753 11.081 -1.916 303 HE ARG 46 HE ARG 46 2.021 12.405 -4.083 304 HH11 ARG 46 1HH1 ARG 46 -0.004 12.935 -1.343 305 HH12 ARG 46 2HH1 ARG 46 0.369 14.622 -1.229 306 HH21 ARG 46 1HH2 ARG 46 2.434 14.630 -4.013 307 HH22 ARG 46 2HH2 ARG 46 1.749 15.581 -2.737 308 H ILE 47 H ILE 47 1.768 7.722 -5.564 309 HA ILE 47 HA ILE 47 -0.003 5.747 -6.912 310 HB ILE 47 HB ILE 47 2.757 6.463 -7.566 311 HG12 ILE 47 2HG1 ILE 47 0.983 6.398 -9.215 312 HG13 ILE 47 1HG1 ILE 47 2.155 5.140 -9.608 313 HG21 ILE 47 1HG2 ILE 47 3.544 4.586 -6.387 314 HG22 ILE 47 2HG2 ILE 47 3.331 3.988 -8.032 315 HG23 ILE 47 3HG2 ILE 47 2.125 3.621 -6.798 316 HD11 ILE 47 3HD1 ILE 47 -0.647 4.860 -9.022 317 HD12 ILE 47 1HD1 ILE 47 0.289 3.984 -7.810 318 HD13 ILE 47 2HD1 ILE 47 0.502 3.617 -9.522 319 HA PRO 48 HA PRO 48 0.729 4.339 -2.664 320 HB2 PRO 48 HB2 PRO 48 -1.738 3.150 -2.438 321 HB3 PRO 48 HB1 PRO 48 -1.455 4.873 -2.139 322 HG2 PRO 48 HG2 PRO 48 -2.772 3.567 -4.470 323 HG3 PRO 48 HG1 PRO 48 -2.988 5.207 -3.834 324 HD2 PRO 48 HD2 PRO 48 -1.449 4.483 -6.106 325 HD3 PRO 48 HD1 PRO 48 -1.444 6.063 -5.293 326 H ARG 49 H ARG 49 1.517 2.308 -2.081 327 HA ARG 49 HA ARG 49 1.000 0.070 -4.001 328 HB2 ARG 49 HB2 ARG 49 3.503 1.055 -2.714 329 HB3 ARG 49 HB1 ARG 49 3.321 -0.693 -2.881 330 HG2 ARG 49 HG2 ARG 49 2.577 -0.065 -5.339 331 HG3 ARG 49 HG1 ARG 49 3.498 1.404 -5.016 332 HD2 ARG 49 HD2 ARG 49 5.436 0.306 -5.323 333 HD3 ARG 49 HD1 ARG 49 4.989 -0.884 -4.099 334 HE ARG 49 HE ARG 49 4.541 -1.152 -7.016 335 HH11 ARG 49 1HH2 ARG 49 2.206 -2.208 -5.422 336 HH12 ARG 49 2HH2 ARG 49 2.663 -3.861 -5.182 337 HH21 ARG 49 1HH1 ARG 49 5.990 -3.336 -6.008 338 HH22 ARG 49 2HH1 ARG 49 4.806 -4.499 -5.512 339 H LEU 50 H LEU 50 -0.716 0.528 -1.838 340 HA LEU 50 HA LEU 50 -0.027 -1.793 -0.093 341 HB2 LEU 50 HB2 LEU 50 -1.414 -0.555 1.699 342 HB3 LEU 50 HB1 LEU 50 0.218 0.026 1.393 343 HG LEU 50 HG LEU 50 -1.537 1.838 1.562 344 HD11 LEU 50 1HD1 LEU 50 -0.124 3.061 0.319 345 HD12 LEU 50 2HD1 LEU 50 -0.676 2.280 -1.162 346 HD13 LEU 50 3HD1 LEU 50 0.625 1.557 -0.218 347 HD21 LEU 50 3HD2 LEU 50 -3.299 0.510 0.341 348 HD22 LEU 50 1HD2 LEU 50 -2.402 0.793 -1.149 349 HD23 LEU 50 2HD2 LEU 50 -3.087 2.153 -0.263 350 H ASP 51 H ASP 51 -1.575 -1.809 -2.520 351 HA ASP 51 HA ASP 51 -3.525 -2.949 -3.200 352 HB2 ASP 51 HB2 ASP 51 -3.320 -3.635 -0.515 353 HB3 ASP 51 HB1 ASP 51 -4.931 -2.926 -0.635 354 H MET 52 H MET 52 -3.393 -0.280 -3.628 355 HA MET 52 HA MET 52 -6.209 0.551 -3.195 356 HB2 MET 52 HB2 MET 52 -3.807 1.874 -2.091 357 HB3 MET 52 HB1 MET 52 -4.929 2.951 -2.924 358 HG2 MET 52 HG2 MET 52 -6.554 1.248 -1.393 359 HG3 MET 52 HG1 MET 52 -5.210 1.675 -0.335 360 HE1 MET 52 HE1 MET 52 -5.019 3.191 0.888 361 HE2 MET 52 HE2 MET 52 -6.095 4.548 1.209 362 HE3 MET 52 HE3 MET 52 -4.707 4.766 0.145 363 HA PRO 53 HA PRO 53 -5.867 1.952 -7.334 364 HB2 PRO 53 HB2 PRO 53 -7.622 4.069 -7.301 365 HB3 PRO 53 HB1 PRO 53 -8.132 2.371 -7.268 366 HG2 PRO 53 HG2 PRO 53 -8.108 4.367 -5.052 367 HG3 PRO 53 HG1 PRO 53 -9.132 2.937 -5.265 368 HD2 PRO 53 HD2 PRO 53 -6.880 3.125 -3.557 369 HD3 PRO 53 HD1 PRO 53 -7.711 1.628 -4.031 370 H ASP 54 H ASP 54 -4.770 3.501 -8.619 371 HA ASP 54 HA ASP 54 -2.822 5.147 -7.374 372 HB2 ASP 54 HB2 ASP 54 -3.945 5.606 -10.146 373 HB3 ASP 54 HB1 ASP 54 -2.317 5.962 -9.568 374 H ASP 55 H ASP 55 -2.945 7.187 -6.537 375 HA ASP 55 HA ASP 55 -5.502 8.505 -6.293 376 HB2 ASP 55 HB2 ASP 55 -2.665 9.325 -5.649 377 HB3 ASP 55 HB1 ASP 55 -4.026 10.423 -5.412 378 H ARG 56 H ARG 56 -6.453 9.455 -8.032 379 HA ARG 56 HA ARG 56 -4.699 10.836 -10.015 380 HB2 ARG 56 HB2 ARG 56 -7.531 9.775 -10.226 381 HB3 ARG 56 HB1 ARG 56 -6.738 10.714 -11.492 382 HG2 ARG 56 HG2 ARG 56 -4.821 8.888 -11.114 383 HG3 ARG 56 HG1 ARG 56 -6.199 7.924 -10.582 384 HD2 ARG 56 HD2 ARG 56 -6.699 9.434 -13.056 385 HD3 ARG 56 HD1 ARG 56 -5.417 8.231 -13.204 386 HE ARG 56 HE ARG 56 -8.196 7.628 -13.082 387 HH11 ARG 56 1HH2 ARG 56 -6.184 5.642 -13.963 388 HH12 ARG 56 2HH2 ARG 56 -6.211 4.475 -12.683 389 HH21 ARG 56 1HH1 ARG 56 -7.809 6.583 -10.440 390 HH22 ARG 56 2HH1 ARG 56 -7.132 5.008 -10.689 391 H CYS 57 H CYS 57 -5.353 12.958 -10.753 392 HA CYS 57 HA CYS 57 -6.462 14.615 -8.621 393 HB2 CYS 57 HB2 CYS 57 -5.815 15.411 -11.475 394 HB3 CYS 57 HB1 CYS 57 -5.953 16.478 -10.077 395 H THR 58 H THR 58 -8.491 15.588 -8.586 396 HA THR 58 HA THR 58 -10.582 14.337 -10.162 397 HB THR 58 HB THR 58 -12.102 15.733 -8.906 398 HG1 THR 58 HG1 THR 58 -11.077 17.361 -7.508 399 HG21 THR 58 3HG2 THR 58 -10.063 14.149 -7.696 400 HG22 THR 58 1HG2 THR 58 -11.694 14.458 -7.103 401 HG23 THR 58 2HG2 THR 58 -10.370 15.527 -6.641 402 H GLY 59 H GLY 59 -8.402 16.743 -10.919 403 HA2 GLY 59 HA2 GLY 59 -8.390 17.876 -13.045 404 HA3 GLY 59 HA1 GLY 59 -10.139 17.665 -13.138 405 H GLN 60 H GLN 60 -10.747 18.643 -10.505 406 HA GLN 60 HA GLN 60 -10.343 21.541 -11.011 407 HB2 GLN 60 HB2 GLN 60 -12.223 20.036 -9.169 408 HB3 GLN 60 HB1 GLN 60 -12.121 21.794 -9.245 409 HG2 GLN 60 HG2 GLN 60 -12.617 21.658 -11.701 410 HG3 GLN 60 HG1 GLN 60 -12.882 19.926 -11.505 411 HE21 GLN 60 1HE2 GLN 60 -15.094 21.193 -12.393 412 HE22 GLN 60 2HE2 GLN 60 -16.226 21.446 -11.154 413 H SER 61 H SER 61 -9.203 19.020 -8.988 414 HA SER 61 HA SER 61 -8.451 20.818 -6.781 415 HB2 SER 61 HB2 SER 61 -7.732 17.914 -7.272 416 HB3 SER 61 HB1 SER 61 -7.463 18.806 -5.777 417 HG SER 61 HG SER 61 -9.736 19.104 -5.663 418 H ALA 62 H ALA 62 -6.757 22.172 -7.173 419 HA ALA 62 HA ALA 62 -4.745 21.716 -9.164 420 HB1 ALA 62 HB1 ALA 62 -3.753 23.701 -8.395 421 HB2 ALA 62 HB2 ALA 62 -4.262 23.422 -6.730 422 HB3 ALA 62 HB3 ALA 62 -5.442 23.924 -7.940 423 H ASP 63 H ASP 63 -4.867 21.083 -5.676 424 HA ASP 63 HA ASP 63 -2.183 19.802 -5.841 425 HB2 ASP 63 HB2 ASP 63 -3.904 20.442 -3.422 426 HB3 ASP 63 HB1 ASP 63 -2.261 19.802 -3.377 427 H CYS 64 H CYS 64 -2.059 17.692 -4.468 428 HA CYS 64 HA CYS 64 -4.415 16.021 -5.213 429 HB2 CYS 64 HB2 CYS 64 -2.282 15.347 -6.229 430 HB3 CYS 64 HB1 CYS 64 -1.553 15.201 -4.632 431 HA PRO 65 HA PRO 65 -5.015 16.048 -0.787 432 HB2 PRO 65 HB2 PRO 65 -7.640 15.312 -1.018 433 HB3 PRO 65 HB1 PRO 65 -7.087 16.983 -1.149 434 HG2 PRO 65 HG2 PRO 65 -8.013 15.113 -3.274 435 HG3 PRO 65 HG1 PRO 65 -8.036 16.884 -3.255 436 HD2 PRO 65 HD2 PRO 65 -6.173 15.271 -4.625 437 HD3 PRO 65 HD1 PRO 65 -6.016 17.013 -4.309 438 H ARG 66 H ARG 66 -6.731 14.205 0.347 439 HA ARG 66 HA ARG 66 -5.490 11.595 -0.422 440 HB2 ARG 66 HB2 ARG 66 -5.215 12.728 1.957 441 HB3 ARG 66 HB1 ARG 66 -6.820 12.049 2.228 442 HG2 ARG 66 HG2 ARG 66 -5.609 9.898 1.130 443 HG3 ARG 66 HG1 ARG 66 -4.213 10.665 1.888 444 HD2 ARG 66 HD2 ARG 66 -6.756 10.368 3.454 445 HD3 ARG 66 HD1 ARG 66 -5.680 8.982 3.279 446 HE ARG 66 HE ARG 66 -3.930 10.292 4.416 447 HH11 ARG 66 1HH1 ARG 66 -7.046 10.608 5.464 448 HH12 ARG 66 2HH1 ARG 66 -6.829 12.111 6.299 449 HH21 ARG 66 1HH2 ARG 66 -3.659 12.672 5.010 450 HH22 ARG 66 2HH2 ARG 66 -4.910 13.278 6.042 451 H TYR 67 H TYR 67 -6.885 9.723 -0.452 452 HA TYR 67 HA TYR 67 -9.682 10.408 -1.128 453 HB2 TYR 67 HB2 TYR 67 -7.885 8.058 -1.584 454 HB3 TYR 67 HB1 TYR 67 -9.629 7.793 -1.590 455 HD1 TYR 67 HD1 TYR 67 -11.048 9.456 -3.035 456 HD2 TYR 67 HD2 TYR 67 -6.827 8.830 -3.521 457 HE1 TYR 67 HE1 TYR 67 -11.178 10.373 -5.337 458 HE2 TYR 67 HE2 TYR 67 -6.955 9.747 -5.823 459 HH TYR 67 HH TYR 67 -9.051 11.584 -6.955 460 H HIS 68 H HIS 68 -11.398 8.832 -0.302 461 HA HIS 68 HA HIS 68 -12.581 7.951 1.520 462 HB2 HIS 68 HB2 HIS 68 -10.234 6.529 1.378 463 HB3 HIS 68 HB1 HIS 68 -10.186 7.140 3.033 464 HD1 HIS 68 HD1 HIS 68 -10.989 4.143 1.751 465 HD2 HIS 68 HD2 HIS 68 -13.408 6.895 3.740 466 HE1 HIS 68 HE1 HIS 68 -12.955 2.836 2.669 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -13.484 32.371 -0.461 2 H2 GLY 1 HT2 GLY 1 -12.817 31.803 0.995 3 H3 GLY 1 HT3 GLY 1 -12.219 31.240 -0.493 4 HA2 GLY 1 HA1 GLY 1 -11.681 33.700 -0.953 5 HA3 GLY 1 HA2 GLY 1 -11.822 33.859 0.798 6 H LYS 2 H LYS 2 -10.139 32.029 -1.747 7 HA LYS 2 HA LYS 2 -8.197 30.908 0.112 8 HB2 LYS 2 HB2 LYS 2 -8.524 30.965 -2.874 9 HB3 LYS 2 HB1 LYS 2 -6.980 30.469 -2.179 10 HG2 LYS 2 HG2 LYS 2 -8.757 29.054 -0.639 11 HG3 LYS 2 HG1 LYS 2 -9.565 29.055 -2.206 12 HD2 LYS 2 HD2 LYS 2 -7.579 28.151 -3.285 13 HD3 LYS 2 HD1 LYS 2 -6.673 28.260 -1.776 14 HE2 LYS 2 HE2 LYS 2 -7.357 25.991 -1.896 15 HE3 LYS 2 HE1 LYS 2 -8.497 26.739 -0.776 16 HZ1 LYS 2 HZ1 LYS 2 -10.066 25.941 -2.113 17 HZ2 LYS 2 HZ2 LYS 2 -8.963 25.585 -3.355 18 HZ3 LYS 2 HZ3 LYS 2 -9.618 27.146 -3.219 19 H GLU 3 H GLU 3 -6.322 31.854 0.781 20 HA GLU 3 HA GLU 3 -5.571 34.444 -0.500 21 HB2 GLU 3 HB2 GLU 3 -6.159 34.269 2.026 22 HB3 GLU 3 HB1 GLU 3 -4.579 33.502 2.186 23 HG2 GLU 3 HG2 GLU 3 -3.655 35.531 0.897 24 HG3 GLU 3 HG1 GLU 3 -5.209 36.297 1.232 25 H CYS 4 H CYS 4 -4.578 31.202 -0.006 26 HA CYS 4 HA CYS 4 -1.915 31.891 -1.160 27 HB2 CYS 4 HB2 CYS 4 -1.532 31.347 1.190 28 HB3 CYS 4 HB1 CYS 4 -2.487 29.875 1.033 29 H ASP 5 H ASP 5 -1.333 30.597 -2.900 30 HA ASP 5 HA ASP 5 -2.940 28.127 -3.344 31 HB2 ASP 5 HB2 ASP 5 -3.712 30.175 -4.696 32 HB3 ASP 5 HB1 ASP 5 -2.186 30.026 -5.563 33 H CYS 6 H CYS 6 -0.261 28.394 -2.276 34 HA CYS 6 HA CYS 6 1.122 26.643 -4.159 35 HB2 CYS 6 HB2 CYS 6 3.206 28.193 -4.081 36 HB3 CYS 6 HB1 CYS 6 1.917 28.579 -5.218 37 H SER 7 H SER 7 1.857 28.771 -1.343 38 HA SER 7 HA SER 7 2.578 28.134 0.807 39 HB2 SER 7 HB2 SER 7 1.372 25.803 -0.127 40 HB3 SER 7 HB1 SER 7 3.004 25.290 0.293 41 HG SER 7 HG SER 7 1.207 25.429 1.984 42 H SER 8 H SER 8 4.174 28.057 -2.016 43 HA SER 8 HA SER 8 6.695 26.943 -0.905 44 HB2 SER 8 HB2 SER 8 7.271 27.785 -3.467 45 HB3 SER 8 HB1 SER 8 6.782 26.151 -3.028 46 HG SER 8 HG SER 8 4.659 26.704 -3.484 47 HA PRO 9 HA PRO 9 7.957 31.124 -0.096 48 HB2 PRO 9 HB2 PRO 9 10.513 30.504 0.702 49 HB3 PRO 9 HB1 PRO 9 9.087 30.292 1.735 50 HG2 PRO 9 HG2 PRO 9 10.693 28.226 0.305 51 HG3 PRO 9 HG1 PRO 9 9.718 28.069 1.775 52 HD2 PRO 9 HD2 PRO 9 8.954 27.232 -0.820 53 HD3 PRO 9 HD1 PRO 9 7.880 27.388 0.587 54 H GLU 10 H GLU 10 9.109 29.077 -2.543 55 HA GLU 10 HA GLU 10 10.556 31.363 -3.799 56 HB2 GLU 10 HB2 GLU 10 11.683 28.826 -2.969 57 HB3 GLU 10 HB1 GLU 10 11.818 29.018 -4.718 58 HG2 GLU 10 HG2 GLU 10 12.531 31.315 -2.916 59 HG3 GLU 10 HG1 GLU 10 13.692 30.009 -3.166 60 H ASN 11 H ASN 11 8.177 31.282 -4.680 61 HA ASN 11 HA ASN 11 8.180 29.523 -7.097 62 HB2 ASN 11 HB2 ASN 11 6.426 29.097 -5.186 63 HB3 ASN 11 HB1 ASN 11 5.632 30.525 -5.853 64 HD21 ASN 11 1HD2 ASN 11 6.033 27.133 -6.258 65 HD22 ASN 11 2HD2 ASN 11 5.302 27.001 -7.785 66 HA PRO 12 HA PRO 12 7.946 33.435 -9.168 67 HB2 PRO 12 HB2 PRO 12 7.518 32.425 -11.689 68 HB3 PRO 12 HB1 PRO 12 9.103 32.436 -10.897 69 HG2 PRO 12 HG2 PRO 12 7.245 30.146 -11.345 70 HG3 PRO 12 HG1 PRO 12 9.007 30.143 -11.163 71 HD2 PRO 12 HD2 PRO 12 7.138 29.430 -9.164 72 HD3 PRO 12 HD1 PRO 12 8.864 29.763 -8.908 73 H CYS 13 H CYS 13 5.664 31.130 -10.682 74 HA CYS 13 HA CYS 13 3.635 33.032 -11.239 75 HB2 CYS 13 HB2 CYS 13 3.349 30.074 -10.638 76 HB3 CYS 13 HB1 CYS 13 2.129 31.079 -11.422 77 H CYS 14 H CYS 14 4.620 31.663 -8.237 78 HA CYS 14 HA CYS 14 2.086 32.616 -7.021 79 HB2 CYS 14 HB2 CYS 14 2.117 30.534 -6.155 80 HB3 CYS 14 HB1 CYS 14 3.840 30.325 -6.439 81 H ASP 15 H ASP 15 2.203 34.530 -6.022 82 HA ASP 15 HA ASP 15 4.776 35.774 -5.451 83 HB2 ASP 15 HB2 ASP 15 1.909 36.549 -5.305 84 HB3 ASP 15 HB1 ASP 15 2.984 37.357 -4.164 85 H ALA 16 H ALA 16 5.907 34.879 -3.773 86 HA ALA 16 HA ALA 16 4.824 33.455 -1.581 87 HB1 ALA 16 HB1 ALA 16 7.352 35.115 -1.457 88 HB2 ALA 16 HB2 ALA 16 7.268 33.574 -2.310 89 HB3 ALA 16 HB3 ALA 16 6.989 33.635 -0.570 90 H ALA 17 H ALA 17 5.529 36.908 -1.964 91 HA ALA 17 HA ALA 17 5.147 37.826 0.650 92 HB1 ALA 17 HB1 ALA 17 4.881 38.937 -2.045 93 HB2 ALA 17 HB2 ALA 17 5.491 39.702 -0.577 94 HB3 ALA 17 HB3 ALA 17 3.758 39.675 -0.902 95 H THR 18 H THR 18 2.800 36.614 -1.649 96 HA THR 18 HA THR 18 0.656 37.097 0.376 97 HB THR 18 HB THR 18 -0.933 37.212 -1.417 98 HG1 THR 18 HG1 THR 18 -0.528 36.443 -3.359 99 HG21 THR 18 3HG2 THR 18 0.572 38.841 -3.024 100 HG22 THR 18 1HG2 THR 18 1.533 38.822 -1.547 101 HG23 THR 18 2HG2 THR 18 -0.151 39.343 -1.496 102 H CYS 19 H CYS 19 2.320 34.679 -1.546 103 HA CYS 19 HA CYS 19 2.261 32.333 -1.224 104 HB2 CYS 19 HB2 CYS 19 1.274 33.058 1.119 105 HB3 CYS 19 HB1 CYS 19 -0.256 32.570 0.399 106 H LYS 20 H LYS 20 0.397 34.316 -2.862 107 HA LYS 20 HA LYS 20 -1.426 32.169 -3.883 108 HB2 LYS 20 HB2 LYS 20 -1.964 34.860 -3.107 109 HB3 LYS 20 HB1 LYS 20 -2.180 34.760 -4.852 110 HG2 LYS 20 HG2 LYS 20 -3.331 32.598 -3.124 111 HG3 LYS 20 HG1 LYS 20 -4.170 34.146 -3.219 112 HD2 LYS 20 HD2 LYS 20 -3.352 32.493 -5.627 113 HD3 LYS 20 HD1 LYS 20 -4.970 32.500 -4.924 114 HE2 LYS 20 HE2 LYS 20 -4.986 35.017 -5.256 115 HE3 LYS 20 HE1 LYS 20 -3.511 34.823 -6.203 116 HZ1 LYS 20 HZ1 LYS 20 -6.061 33.413 -6.760 117 HZ2 LYS 20 HZ2 LYS 20 -4.655 33.387 -7.715 118 HZ3 LYS 20 HZ3 LYS 20 -5.553 34.821 -7.557 119 H LEU 21 H LEU 21 -1.992 33.522 -6.374 120 HA LEU 21 HA LEU 21 0.732 33.453 -7.605 121 HB2 LEU 21 HB2 LEU 21 -1.831 32.251 -8.541 122 HB3 LEU 21 HB1 LEU 21 -0.617 32.762 -9.703 123 HG LEU 21 HG LEU 21 1.030 31.359 -8.240 124 HD11 LEU 21 1HD1 LEU 21 -0.403 29.362 -7.302 125 HD12 LEU 21 2HD1 LEU 21 -1.679 30.578 -7.231 126 HD13 LEU 21 3HD1 LEU 21 -0.183 30.815 -6.325 127 HD21 LEU 21 3HD2 LEU 21 -1.007 29.607 -9.551 128 HD22 LEU 21 1HD2 LEU 21 0.751 29.583 -9.699 129 HD23 LEU 21 2HD2 LEU 21 -0.189 30.817 -10.541 130 H ARG 22 H ARG 22 0.702 34.224 -9.808 131 HA ARG 22 HA ARG 22 -0.634 36.847 -9.928 132 HB2 ARG 22 HB2 ARG 22 1.871 35.851 -10.833 133 HB3 ARG 22 HB1 ARG 22 0.912 36.164 -12.280 134 HG2 ARG 22 HG2 ARG 22 0.475 38.449 -11.547 135 HG3 ARG 22 HG1 ARG 22 1.317 38.151 -10.026 136 HD2 ARG 22 HD2 ARG 22 3.422 37.887 -11.140 137 HD3 ARG 22 HD1 ARG 22 2.649 37.833 -12.724 138 HE ARG 22 HE ARG 22 2.509 40.313 -11.067 139 HH11 ARG 22 1HH1 ARG 22 4.177 38.717 -13.546 140 HH12 ARG 22 2HH1 ARG 22 4.158 40.058 -14.643 141 HH21 ARG 22 1HH2 ARG 22 2.091 42.001 -12.648 142 HH22 ARG 22 2HH2 ARG 22 2.978 41.918 -14.133 143 HA PRO 23 HA PRO 23 -3.914 34.755 -12.099 144 HB2 PRO 23 HB2 PRO 23 -4.970 37.062 -13.236 145 HB3 PRO 23 HB1 PRO 23 -5.306 36.498 -11.588 146 HG2 PRO 23 HG2 PRO 23 -3.343 38.606 -12.494 147 HG3 PRO 23 HG1 PRO 23 -4.392 38.597 -11.060 148 HD2 PRO 23 HD2 PRO 23 -1.740 37.944 -10.854 149 HD3 PRO 23 HD1 PRO 23 -2.973 37.155 -9.861 150 H GLY 24 H GLY 24 -1.927 33.970 -13.330 151 HA2 GLY 24 HA2 GLY 24 -2.207 34.762 -16.186 152 HA3 GLY 24 HA1 GLY 24 -0.605 34.526 -15.483 153 H ALA 25 H ALA 25 -1.165 32.275 -13.812 154 HA ALA 25 HA ALA 25 -1.756 30.225 -15.909 155 HB1 ALA 25 HB1 ALA 25 0.578 30.294 -14.916 156 HB2 ALA 25 HB2 ALA 25 -0.250 28.747 -14.747 157 HB3 ALA 25 HB3 ALA 25 -0.144 29.846 -13.371 158 H GLN 26 H GLN 26 -1.602 28.570 -13.077 159 HA GLN 26 HA GLN 26 -4.359 29.199 -12.201 160 HB2 GLN 26 HB2 GLN 26 -3.819 27.097 -13.998 161 HB3 GLN 26 HB1 GLN 26 -4.050 26.329 -12.427 162 HG2 GLN 26 HG2 GLN 26 -6.220 26.515 -13.474 163 HG3 GLN 26 HG1 GLN 26 -6.157 27.690 -12.161 164 HE21 GLN 26 1HE2 GLN 26 -5.640 27.442 -15.716 165 HE22 GLN 26 2HE2 GLN 26 -6.094 29.045 -16.044 166 H CYS 27 H CYS 27 -1.465 27.182 -11.762 167 HA CYS 27 HA CYS 27 -1.713 27.590 -8.838 168 HB2 CYS 27 HB2 CYS 27 -2.826 25.492 -9.037 169 HB3 CYS 27 HB1 CYS 27 -1.674 24.906 -10.233 170 H GLY 28 H GLY 28 0.328 27.418 -7.766 171 HA2 GLY 28 HA2 GLY 28 2.652 27.395 -9.643 172 HA3 GLY 28 HA1 GLY 28 2.619 28.270 -8.113 173 H GLU 29 H GLU 29 1.340 26.019 -6.691 174 HA GLU 29 HA GLU 29 3.442 23.926 -6.848 175 HB2 GLU 29 HB2 GLU 29 4.203 25.574 -5.163 176 HB3 GLU 29 HB1 GLU 29 2.682 25.373 -4.293 177 HG2 GLU 29 HG2 GLU 29 3.394 23.469 -3.323 178 HG3 GLU 29 HG1 GLU 29 3.927 22.809 -4.869 179 H GLY 30 H GLY 30 2.675 21.889 -6.282 180 HA2 GLY 30 HA2 GLY 30 0.637 21.093 -4.631 181 HA3 GLY 30 HA1 GLY 30 -0.232 21.609 -6.077 182 H LEU 31 H LEU 31 -0.437 18.968 -5.399 183 HA LEU 31 HA LEU 31 1.618 17.362 -6.706 184 HB2 LEU 31 HB2 LEU 31 -0.876 16.881 -5.204 185 HB3 LEU 31 HB1 LEU 31 -0.558 15.709 -6.482 186 HG LEU 31 HG LEU 31 1.482 16.515 -4.394 187 HD11 LEU 31 1HD1 LEU 31 0.253 15.238 -2.986 188 HD12 LEU 31 2HD1 LEU 31 0.778 13.866 -3.962 189 HD13 LEU 31 3HD1 LEU 31 -0.769 14.644 -4.294 190 HD21 LEU 31 3HD2 LEU 31 2.243 14.096 -5.310 191 HD22 LEU 31 1HD2 LEU 31 2.762 15.599 -6.073 192 HD23 LEU 31 2HD2 LEU 31 1.411 14.689 -6.748 193 H CYS 32 H CYS 32 -0.594 19.404 -7.976 194 HA CYS 32 HA CYS 32 -0.628 17.917 -10.534 195 HB2 CYS 32 HB2 CYS 32 -3.180 19.136 -9.467 196 HB3 CYS 32 HB1 CYS 32 -2.985 18.028 -10.825 197 H CYS 33 H CYS 33 0.945 20.109 -9.950 198 HA CYS 33 HA CYS 33 -0.443 22.301 -11.440 199 HB2 CYS 33 HB2 CYS 33 1.727 22.617 -9.342 200 HB3 CYS 33 HB1 CYS 33 0.884 23.920 -10.180 201 H GLU 34 H GLU 34 0.387 21.602 -13.466 202 HA GLU 34 HA GLU 34 3.362 21.670 -13.726 203 HB2 GLU 34 HB2 GLU 34 2.499 19.560 -14.511 204 HB3 GLU 34 HB1 GLU 34 1.228 20.362 -15.435 205 HG2 GLU 34 HG2 GLU 34 3.721 21.480 -16.253 206 HG3 GLU 34 HG1 GLU 34 3.889 19.724 -16.276 207 H GLN 35 H GLN 35 4.238 23.280 -14.988 208 HA GLN 35 HA GLN 35 4.321 25.168 -16.376 209 HB2 GLN 35 HB2 GLN 35 2.118 23.557 -17.429 210 HB3 GLN 35 HB1 GLN 35 1.868 25.284 -17.687 211 HG2 GLN 35 HG2 GLN 35 4.304 23.671 -18.495 212 HG3 GLN 35 HG1 GLN 35 3.110 24.388 -19.577 213 HE21 GLN 35 1HE2 GLN 35 6.164 24.920 -18.932 214 HE22 GLN 35 2HE2 GLN 35 6.222 26.612 -18.815 215 H CYS 36 H CYS 36 3.208 25.205 -13.668 216 HA CYS 36 HA CYS 36 2.201 26.759 -12.242 217 HB2 CYS 36 HB2 CYS 36 2.338 28.366 -14.798 218 HB3 CYS 36 HB1 CYS 36 1.647 29.025 -13.313 219 H LYS 37 H LYS 37 0.636 25.009 -14.412 220 HA LYS 37 HA LYS 37 -2.008 26.265 -13.791 221 HB2 LYS 37 HB2 LYS 37 -1.266 24.602 -16.219 222 HB3 LYS 37 HB1 LYS 37 -2.852 25.303 -15.891 223 HG2 LYS 37 HG2 LYS 37 -2.135 27.470 -16.312 224 HG3 LYS 37 HG1 LYS 37 -0.460 27.107 -15.898 225 HD2 LYS 37 HD2 LYS 37 -0.096 26.992 -18.128 226 HD3 LYS 37 HD1 LYS 37 -0.937 25.442 -18.059 227 HE2 LYS 37 HE2 LYS 37 -2.065 26.693 -19.744 228 HE3 LYS 37 HE1 LYS 37 -3.107 26.777 -18.324 229 HZ1 LYS 37 HZ1 LYS 37 -2.782 28.961 -18.125 230 HZ2 LYS 37 HZ2 LYS 37 -2.217 28.905 -19.726 231 HZ3 LYS 37 HZ3 LYS 37 -1.118 28.852 -18.432 232 H PHE 38 H PHE 38 -3.809 24.558 -13.802 233 HA PHE 38 HA PHE 38 -3.117 22.465 -11.940 234 HB2 PHE 38 HB2 PHE 38 -5.628 22.892 -13.587 235 HB3 PHE 38 HB1 PHE 38 -5.475 21.733 -12.268 236 HD1 PHE 38 HD2 PHE 38 -3.996 23.105 -10.212 237 HD2 PHE 38 HD1 PHE 38 -6.973 24.671 -12.884 238 HE1 PHE 38 HE2 PHE 38 -4.527 24.893 -8.576 239 HE2 PHE 38 HE1 PHE 38 -7.500 26.459 -11.247 240 HZ PHE 38 HZ PHE 38 -6.276 26.568 -9.095 241 H SER 39 H SER 39 -2.585 20.347 -12.350 242 HA SER 39 HA SER 39 -1.759 19.523 -14.945 243 HB2 SER 39 HB2 SER 39 -1.909 18.363 -12.301 244 HB3 SER 39 HB1 SER 39 -2.438 17.191 -13.503 245 HG SER 39 HG SER 39 -0.044 18.723 -13.597 246 H ARG 40 H ARG 40 -2.851 18.455 -16.582 247 HA ARG 40 HA ARG 40 -5.535 18.776 -17.080 248 HB2 ARG 40 HB2 ARG 40 -3.868 16.349 -17.811 249 HB3 ARG 40 HB1 ARG 40 -5.406 16.780 -18.560 250 HG2 ARG 40 HG2 ARG 40 -4.488 18.857 -19.401 251 HG3 ARG 40 HG1 ARG 40 -2.988 18.606 -18.507 252 HD2 ARG 40 HD2 ARG 40 -3.523 16.284 -20.118 253 HD3 ARG 40 HD1 ARG 40 -3.600 17.724 -21.133 254 HE ARG 40 HE ARG 40 -1.224 16.933 -19.503 255 HH11 ARG 40 1HH1 ARG 40 -2.310 17.527 -22.593 256 HH12 ARG 40 2HH1 ARG 40 -1.047 18.630 -23.029 257 HH21 ARG 40 1HH2 ARG 40 0.224 18.862 -19.810 258 HH22 ARG 40 2HH2 ARG 40 0.389 19.384 -21.453 259 H ALA 41 H ALA 41 -7.371 17.226 -16.973 260 HA ALA 41 HA ALA 41 -7.763 16.244 -14.308 261 HB1 ALA 41 HB1 ALA 41 -9.923 15.900 -14.967 262 HB2 ALA 41 HB2 ALA 41 -9.442 15.089 -16.457 263 HB3 ALA 41 HB3 ALA 41 -9.430 16.850 -16.370 264 H GLY 42 H GLY 42 -7.754 14.108 -13.521 265 HA2 GLY 42 HA2 GLY 42 -7.308 11.786 -13.535 266 HA3 GLY 42 HA1 GLY 42 -7.140 11.863 -15.288 267 H LYS 43 H LYS 43 -5.339 14.080 -13.275 268 HA LYS 43 HA LYS 43 -2.833 12.971 -14.325 269 HB2 LYS 43 HB2 LYS 43 -2.901 15.356 -14.179 270 HB3 LYS 43 HB1 LYS 43 -3.484 15.307 -12.516 271 HG2 LYS 43 HG2 LYS 43 -1.083 15.863 -12.584 272 HG3 LYS 43 HG1 LYS 43 -1.344 14.307 -11.793 273 HD2 LYS 43 HD2 LYS 43 0.387 13.774 -13.254 274 HD3 LYS 43 HD1 LYS 43 -1.018 13.357 -14.235 275 HE2 LYS 43 HE2 LYS 43 -0.906 15.794 -15.090 276 HE3 LYS 43 HE1 LYS 43 0.719 15.818 -14.403 277 HZ1 LYS 43 HZ1 LYS 43 -0.282 13.853 -16.392 278 HZ2 LYS 43 HZ2 LYS 43 1.288 13.901 -15.743 279 HZ3 LYS 43 HZ3 LYS 43 0.736 15.167 -16.735 280 H ILE 44 H ILE 44 -1.727 11.375 -13.303 281 HA ILE 44 HA ILE 44 -2.543 10.233 -10.831 282 HB ILE 44 HB ILE 44 0.153 10.128 -12.205 283 HG12 ILE 44 2HG1 ILE 44 -1.903 9.338 -13.484 284 HG13 ILE 44 1HG1 ILE 44 -0.650 8.118 -13.246 285 HG21 ILE 44 1HG2 ILE 44 -1.052 8.550 -9.928 286 HG22 ILE 44 2HG2 ILE 44 0.497 9.390 -9.968 287 HG23 ILE 44 3HG2 ILE 44 0.270 7.915 -10.907 288 HD11 ILE 44 3HD1 ILE 44 -1.885 6.968 -11.638 289 HD12 ILE 44 1HD1 ILE 44 -3.163 7.529 -12.716 290 HD13 ILE 44 2HD1 ILE 44 -2.840 8.387 -11.210 291 H CYS 45 H CYS 45 -2.394 11.149 -8.849 292 HA CYS 45 HA CYS 45 -0.141 13.052 -8.343 293 HB2 CYS 45 HB2 CYS 45 -1.684 13.824 -6.428 294 HB3 CYS 45 HB1 CYS 45 -2.163 14.260 -8.068 295 H ARG 46 H ARG 46 -1.207 9.948 -7.671 296 HA ARG 46 HA ARG 46 0.749 9.674 -5.512 297 HB2 ARG 46 HB2 ARG 46 -1.927 10.224 -4.813 298 HB3 ARG 46 HB1 ARG 46 -1.708 8.494 -4.543 299 HG2 ARG 46 HG2 ARG 46 0.318 8.962 -3.206 300 HG3 ARG 46 HG1 ARG 46 0.079 10.693 -3.459 301 HD2 ARG 46 HD2 ARG 46 -2.365 9.475 -2.500 302 HD3 ARG 46 HD1 ARG 46 -1.031 9.111 -1.406 303 HE ARG 46 HE ARG 46 -0.664 11.758 -1.703 304 HH11 ARG 46 1HH2 ARG 46 -2.565 10.173 0.330 305 HH12 ARG 46 2HH2 ARG 46 -3.872 11.309 0.393 306 HH21 ARG 46 1HH1 ARG 46 -2.775 13.127 -2.349 307 HH22 ARG 46 2HH1 ARG 46 -3.990 12.980 -1.122 308 H ILE 47 H ILE 47 1.169 7.421 -5.019 309 HA ILE 47 HA ILE 47 -0.164 5.451 -6.800 310 HB ILE 47 HB ILE 47 1.842 6.258 -7.998 311 HG12 ILE 47 2HG1 ILE 47 2.728 3.587 -7.049 312 HG13 ILE 47 1HG1 ILE 47 1.073 3.684 -7.650 313 HG21 ILE 47 1HG2 ILE 47 3.834 6.583 -6.976 314 HG22 ILE 47 2HG2 ILE 47 3.752 5.028 -6.148 315 HG23 ILE 47 3HG2 ILE 47 2.938 6.435 -5.464 316 HD11 ILE 47 3HD1 ILE 47 2.676 5.179 -9.445 317 HD12 ILE 47 1HD1 ILE 47 1.866 3.643 -9.753 318 HD13 ILE 47 2HD1 ILE 47 3.525 3.662 -9.152 319 HA PRO 48 HA PRO 48 0.581 3.867 -2.531 320 HB2 PRO 48 HB2 PRO 48 -2.031 3.104 -2.123 321 HB3 PRO 48 HB1 PRO 48 -1.408 4.714 -1.722 322 HG2 PRO 48 HG2 PRO 48 -3.142 3.884 -4.006 323 HG3 PRO 48 HG1 PRO 48 -3.025 5.458 -3.200 324 HD2 PRO 48 HD2 PRO 48 -1.855 4.788 -5.682 325 HD3 PRO 48 HD1 PRO 48 -1.457 6.211 -4.695 326 H ARG 49 H ARG 49 1.752 2.078 -3.427 327 HA ARG 49 HA ARG 49 0.278 -0.022 -4.869 328 HB2 ARG 49 HB2 ARG 49 3.083 0.711 -4.431 329 HB3 ARG 49 HB1 ARG 49 2.799 -1.027 -4.338 330 HG2 ARG 49 HG2 ARG 49 1.642 -0.954 -6.519 331 HG3 ARG 49 HG1 ARG 49 1.942 0.781 -6.618 332 HD2 ARG 49 HD2 ARG 49 4.288 0.477 -6.802 333 HD3 ARG 49 HD1 ARG 49 4.196 -1.194 -6.251 334 HE ARG 49 HE ARG 49 3.095 -1.725 -8.439 335 HH11 ARG 49 1HH2 ARG 49 2.799 1.360 -8.935 336 HH12 ARG 49 2HH2 ARG 49 3.942 1.554 -10.222 337 HH21 ARG 49 1HH1 ARG 49 5.435 -1.534 -9.715 338 HH22 ARG 49 2HH1 ARG 49 5.435 -0.085 -10.663 339 H LEU 50 H LEU 50 -0.246 0.597 -1.939 340 HA LEU 50 HA LEU 50 0.460 -2.099 -0.866 341 HB2 LEU 50 HB2 LEU 50 -0.085 -1.021 1.407 342 HB3 LEU 50 HB1 LEU 50 1.419 -0.552 0.623 343 HG LEU 50 HG LEU 50 0.002 1.334 1.613 344 HD11 LEU 50 1HD1 LEU 50 0.185 2.288 -1.068 345 HD12 LEU 50 2HD1 LEU 50 1.514 1.160 -0.803 346 HD13 LEU 50 3HD1 LEU 50 1.313 2.550 0.263 347 HD21 LEU 50 3HD2 LEU 50 -2.184 0.500 0.815 348 HD22 LEU 50 1HD2 LEU 50 -1.670 0.743 -0.852 349 HD23 LEU 50 2HD2 LEU 50 -1.865 2.128 0.220 350 H ASP 51 H ASP 51 -2.091 -0.702 -2.331 351 HA ASP 51 HA ASP 51 -4.013 -2.574 -1.898 352 HB2 ASP 51 HB2 ASP 51 -4.036 -2.403 0.474 353 HB3 ASP 51 HB1 ASP 51 -3.995 -0.640 0.429 354 H MET 52 H MET 52 -3.755 0.976 -1.561 355 HA MET 52 HA MET 52 -6.243 1.387 -3.041 356 HB2 MET 52 HB2 MET 52 -4.104 3.311 -2.093 357 HB3 MET 52 HB1 MET 52 -5.615 3.805 -2.856 358 HG2 MET 52 HG2 MET 52 -6.893 2.694 -1.067 359 HG3 MET 52 HG1 MET 52 -5.388 2.178 -0.307 360 HE1 MET 52 HE1 MET 52 -7.740 5.685 0.626 361 HE2 MET 52 HE2 MET 52 -7.654 4.074 1.334 362 HE3 MET 52 HE3 MET 52 -8.108 4.263 -0.358 363 HA PRO 53 HA PRO 53 -4.480 1.646 -7.067 364 HB2 PRO 53 HB2 PRO 53 -6.368 3.264 -8.238 365 HB3 PRO 53 HB1 PRO 53 -6.644 1.553 -7.866 366 HG2 PRO 53 HG2 PRO 53 -7.692 3.969 -6.467 367 HG3 PRO 53 HG1 PRO 53 -8.381 2.341 -6.563 368 HD2 PRO 53 HD2 PRO 53 -6.972 3.416 -4.356 369 HD3 PRO 53 HD1 PRO 53 -7.380 1.705 -4.606 370 H ASP 54 H ASP 54 -3.972 3.454 -8.784 371 HA ASP 54 HA ASP 54 -2.342 5.461 -7.489 372 HB2 ASP 54 HB2 ASP 54 -3.180 5.212 -10.393 373 HB3 ASP 54 HB1 ASP 54 -1.874 6.231 -9.784 374 H ASP 55 H ASP 55 -3.057 7.388 -6.720 375 HA ASP 55 HA ASP 55 -5.770 8.294 -7.186 376 HB2 ASP 55 HB2 ASP 55 -3.431 9.170 -5.599 377 HB3 ASP 55 HB1 ASP 55 -4.512 10.466 -6.113 378 H ARG 56 H ARG 56 -6.472 9.992 -8.516 379 HA ARG 56 HA ARG 56 -4.407 11.125 -10.363 380 HB2 ARG 56 HB2 ARG 56 -7.032 9.830 -10.906 381 HB3 ARG 56 HB1 ARG 56 -6.634 11.246 -11.878 382 HG2 ARG 56 HG2 ARG 56 -4.808 10.224 -12.873 383 HG3 ARG 56 HG1 ARG 56 -4.536 9.144 -11.507 384 HD2 ARG 56 HD2 ARG 56 -5.410 7.784 -13.278 385 HD3 ARG 56 HD1 ARG 56 -6.724 8.004 -12.123 386 HE ARG 56 HE ARG 56 -6.703 9.992 -14.270 387 HH11 ARG 56 1HH1 ARG 56 -8.998 8.600 -12.659 388 HH12 ARG 56 2HH1 ARG 56 -9.794 7.764 -13.949 389 HH21 ARG 56 1HH2 ARG 56 -7.179 8.176 -16.186 390 HH22 ARG 56 2HH2 ARG 56 -8.765 7.526 -15.946 391 H CYS 57 H CYS 57 -4.875 13.307 -11.128 392 HA CYS 57 HA CYS 57 -6.281 14.912 -9.100 393 HB2 CYS 57 HB2 CYS 57 -4.999 15.925 -11.644 394 HB3 CYS 57 HB1 CYS 57 -5.297 16.815 -10.152 395 H THR 58 H THR 58 -8.112 16.204 -9.524 396 HA THR 58 HA THR 58 -9.977 15.149 -11.453 397 HB THR 58 HB THR 58 -11.437 17.006 -10.696 398 HG1 THR 58 HG1 THR 58 -10.588 18.437 -9.160 399 HG21 THR 58 3HG2 THR 58 -11.800 16.112 -8.581 400 HG22 THR 58 1HG2 THR 58 -10.077 15.980 -8.231 401 HG23 THR 58 2HG2 THR 58 -10.844 14.832 -9.327 402 H GLY 59 H GLY 59 -7.462 17.436 -11.715 403 HA2 GLY 59 HA2 GLY 59 -6.854 18.232 -13.962 404 HA3 GLY 59 HA1 GLY 59 -8.575 18.310 -14.345 405 H GLN 60 H GLN 60 -9.568 19.640 -12.117 406 HA GLN 60 HA GLN 60 -8.380 22.330 -12.528 407 HB2 GLN 60 HB2 GLN 60 -10.463 23.208 -11.666 408 HB3 GLN 60 HB1 GLN 60 -10.854 21.961 -12.851 409 HG2 GLN 60 HG2 GLN 60 -10.923 20.335 -10.853 410 HG3 GLN 60 HG1 GLN 60 -10.971 21.778 -9.840 411 HE21 GLN 60 1HE2 GLN 60 -12.846 23.267 -10.154 412 HE22 GLN 60 2HE2 GLN 60 -14.295 22.672 -10.811 413 H SER 61 H SER 61 -8.349 19.788 -10.285 414 HA SER 61 HA SER 61 -7.918 21.567 -7.954 415 HB2 SER 61 HB2 SER 61 -8.263 18.611 -8.344 416 HB3 SER 61 HB1 SER 61 -7.458 19.193 -6.890 417 HG SER 61 HG SER 61 -9.892 18.956 -6.958 418 H ALA 62 H ALA 62 -5.900 22.452 -7.850 419 HA ALA 62 HA ALA 62 -3.595 21.408 -9.177 420 HB1 ALA 62 HB1 ALA 62 -4.188 23.574 -7.282 421 HB2 ALA 62 HB2 ALA 62 -3.065 23.549 -8.643 422 HB3 ALA 62 HB3 ALA 62 -2.573 22.892 -7.082 423 H ASP 63 H ASP 63 -4.609 21.206 -5.755 424 HA ASP 63 HA ASP 63 -2.388 19.390 -5.136 425 HB2 ASP 63 HB2 ASP 63 -4.786 19.923 -3.379 426 HB3 ASP 63 HB1 ASP 63 -3.149 19.478 -2.892 427 H CYS 64 H CYS 64 -3.060 17.276 -3.924 428 HA CYS 64 HA CYS 64 -5.235 15.963 -5.502 429 HB2 CYS 64 HB2 CYS 64 -2.978 15.120 -6.069 430 HB3 CYS 64 HB1 CYS 64 -2.706 14.726 -4.372 431 HA PRO 65 HA PRO 65 -6.937 15.530 -1.434 432 HB2 PRO 65 HB2 PRO 65 -9.356 14.654 -2.364 433 HB3 PRO 65 HB1 PRO 65 -8.908 16.359 -2.289 434 HG2 PRO 65 HG2 PRO 65 -9.133 14.556 -4.644 435 HG3 PRO 65 HG1 PRO 65 -9.265 16.321 -4.566 436 HD2 PRO 65 HD2 PRO 65 -7.014 14.858 -5.454 437 HD3 PRO 65 HD1 PRO 65 -7.058 16.593 -5.077 438 H ARG 66 H ARG 66 -8.455 13.571 -0.557 439 HA ARG 66 HA ARG 66 -6.951 11.092 -1.220 440 HB2 ARG 66 HB2 ARG 66 -8.423 12.098 1.178 441 HB3 ARG 66 HB1 ARG 66 -8.359 10.353 0.923 442 HG2 ARG 66 HG2 ARG 66 -5.750 11.339 0.416 443 HG3 ARG 66 HG1 ARG 66 -6.294 12.099 1.912 444 HD2 ARG 66 HD2 ARG 66 -7.042 9.759 2.649 445 HD3 ARG 66 HD1 ARG 66 -6.104 9.147 1.287 446 HE ARG 66 HE ARG 66 -4.411 10.878 2.753 447 HH11 ARG 66 1HH2 ARG 66 -5.656 7.707 2.585 448 HH12 ARG 66 2HH2 ARG 66 -4.765 7.123 3.950 449 HH21 ARG 66 1HH1 ARG 66 -3.455 10.229 4.761 450 HH22 ARG 66 2HH1 ARG 66 -3.519 8.551 5.183 451 H TYR 67 H TYR 67 -8.080 9.146 -1.719 452 HA TYR 67 HA TYR 67 -10.616 9.561 -3.114 453 HB2 TYR 67 HB2 TYR 67 -8.816 8.026 -3.956 454 HB3 TYR 67 HB1 TYR 67 -9.137 6.968 -2.582 455 HD1 TYR 67 HD2 TYR 67 -11.186 8.837 -5.123 456 HD2 TYR 67 HD1 TYR 67 -10.473 5.134 -3.065 457 HE1 TYR 67 HE2 TYR 67 -13.055 7.784 -6.370 458 HE2 TYR 67 HE1 TYR 67 -12.341 4.082 -4.311 459 HH TYR 67 HH TYR 67 -14.654 5.370 -5.588 460 H HIS 68 H HIS 68 -9.613 8.521 0.025 461 HA HIS 68 HA HIS 68 -12.432 8.159 0.799 462 HB2 HIS 68 HB2 HIS 68 -11.936 5.892 0.172 463 HB3 HIS 68 HB1 HIS 68 -10.373 5.945 0.989 464 HD1 HIS 68 HD1 HIS 68 -10.479 4.653 3.107 465 HD2 HIS 68 HD2 HIS 68 -14.060 6.657 2.372 466 HE1 HIS 68 HE1 HIS 68 -11.994 4.154 5.074 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -8.089 36.946 -8.524 2 H2 GLY 1 HT2 GLY 1 -6.596 37.749 -8.407 3 H3 GLY 1 HT3 GLY 1 -8.045 38.602 -8.161 4 HA2 GLY 1 HA1 GLY 1 -7.681 38.267 -5.997 5 HA3 GLY 1 HA2 GLY 1 -8.260 36.636 -6.334 6 H LYS 2 H LYS 2 -6.083 35.689 -7.864 7 HA LYS 2 HA LYS 2 -3.949 35.642 -5.770 8 HB2 LYS 2 HB2 LYS 2 -3.382 33.417 -6.582 9 HB3 LYS 2 HB1 LYS 2 -5.112 33.474 -6.239 10 HG2 LYS 2 HG2 LYS 2 -5.171 34.255 -8.812 11 HG3 LYS 2 HG1 LYS 2 -3.705 33.275 -8.855 12 HD2 LYS 2 HD2 LYS 2 -4.992 31.434 -8.957 13 HD3 LYS 2 HD1 LYS 2 -5.590 31.808 -7.340 14 HE2 LYS 2 HE2 LYS 2 -7.420 33.089 -8.222 15 HE3 LYS 2 HE1 LYS 2 -6.746 33.041 -9.851 16 HZ1 LYS 2 HZ1 LYS 2 -7.051 30.426 -8.784 17 HZ2 LYS 2 HZ2 LYS 2 -7.682 31.082 -10.218 18 HZ3 LYS 2 HZ3 LYS 2 -8.528 31.259 -8.755 19 H GLU 3 H GLU 3 -1.854 36.137 -6.375 20 HA GLU 3 HA GLU 3 -1.480 36.991 -9.214 21 HB2 GLU 3 HB2 GLU 3 -1.165 38.778 -7.545 22 HB3 GLU 3 HB1 GLU 3 0.045 37.798 -6.717 23 HG2 GLU 3 HG2 GLU 3 1.655 38.272 -8.250 24 HG3 GLU 3 HG1 GLU 3 0.533 38.135 -9.604 25 H CYS 4 H CYS 4 -0.789 34.453 -7.171 26 HA CYS 4 HA CYS 4 1.775 33.895 -8.593 27 HB2 CYS 4 HB2 CYS 4 0.777 32.913 -5.907 28 HB3 CYS 4 HB1 CYS 4 2.213 32.278 -6.707 29 H ASP 5 H ASP 5 1.944 32.019 -9.760 30 HA ASP 5 HA ASP 5 -0.252 30.024 -9.582 31 HB2 ASP 5 HB2 ASP 5 -0.381 31.911 -11.511 32 HB3 ASP 5 HB1 ASP 5 0.677 30.752 -12.317 33 H CYS 6 H CYS 6 2.382 29.790 -8.591 34 HA CYS 6 HA CYS 6 3.281 27.451 -10.099 35 HB2 CYS 6 HB2 CYS 6 5.692 28.521 -10.143 36 HB3 CYS 6 HB1 CYS 6 4.553 28.861 -11.444 37 H SER 7 H SER 7 4.579 29.806 -7.709 38 HA SER 7 HA SER 7 5.112 29.433 -5.439 39 HB2 SER 7 HB2 SER 7 4.522 26.501 -5.791 40 HB3 SER 7 HB1 SER 7 4.395 27.485 -4.335 41 HG SER 7 HG SER 7 2.364 26.992 -5.401 42 H SER 8 H SER 8 6.668 28.488 -8.096 43 HA SER 8 HA SER 8 8.872 27.161 -6.572 44 HB2 SER 8 HB2 SER 8 9.485 26.791 -9.232 45 HB3 SER 8 HB1 SER 8 8.669 25.608 -8.213 46 HG SER 8 HG SER 8 7.393 27.643 -9.736 47 HA PRO 9 HA PRO 9 11.072 30.919 -7.406 48 HB2 PRO 9 HB2 PRO 9 13.485 30.081 -6.397 49 HB3 PRO 9 HB1 PRO 9 12.124 30.589 -5.381 50 HG2 PRO 9 HG2 PRO 9 13.150 27.838 -5.903 51 HG3 PRO 9 HG1 PRO 9 12.264 28.457 -4.499 52 HD2 PRO 9 HD2 PRO 9 11.170 26.918 -6.614 53 HD3 PRO 9 HD1 PRO 9 10.250 27.803 -5.378 54 H GLU 10 H GLU 10 11.301 28.113 -9.104 55 HA GLU 10 HA GLU 10 13.377 29.262 -10.911 56 HB2 GLU 10 HB2 GLU 10 14.276 26.987 -11.300 57 HB3 GLU 10 HB1 GLU 10 14.448 27.463 -9.610 58 HG2 GLU 10 HG2 GLU 10 13.179 25.735 -8.936 59 HG3 GLU 10 HG1 GLU 10 11.877 26.215 -10.024 60 H ASN 11 H ASN 11 10.897 29.802 -11.572 61 HA ASN 11 HA ASN 11 10.109 27.688 -13.535 62 HB2 ASN 11 HB2 ASN 11 8.553 28.434 -11.486 63 HB3 ASN 11 HB1 ASN 11 8.115 29.709 -12.622 64 HD21 ASN 11 1HD2 ASN 11 7.861 26.268 -11.964 65 HD22 ASN 11 2HD2 ASN 11 6.845 25.900 -13.273 66 HA PRO 12 HA PRO 12 11.006 30.996 -16.391 67 HB2 PRO 12 HB2 PRO 12 10.463 29.535 -18.656 68 HB3 PRO 12 HB1 PRO 12 11.979 29.405 -17.749 69 HG2 PRO 12 HG2 PRO 12 9.681 27.506 -17.846 70 HG3 PRO 12 HG1 PRO 12 11.391 27.182 -17.513 71 HD2 PRO 12 HD2 PRO 12 9.334 27.359 -15.579 72 HD3 PRO 12 HD1 PRO 12 11.079 27.377 -15.250 73 H CYS 13 H CYS 13 8.174 28.900 -17.092 74 HA CYS 13 HA CYS 13 6.676 30.808 -18.554 75 HB2 CYS 13 HB2 CYS 13 6.069 28.319 -17.055 76 HB3 CYS 13 HB1 CYS 13 4.707 29.408 -17.319 77 H CYS 14 H CYS 14 6.394 30.003 -15.072 78 HA CYS 14 HA CYS 14 4.768 32.383 -14.598 79 HB2 CYS 14 HB2 CYS 14 4.113 31.081 -12.881 80 HB3 CYS 14 HB1 CYS 14 5.422 29.950 -13.185 81 H ASP 15 H ASP 15 5.739 34.344 -14.654 82 HA ASP 15 HA ASP 15 8.549 34.765 -14.359 83 HB2 ASP 15 HB2 ASP 15 6.137 36.427 -14.613 84 HB3 ASP 15 HB1 ASP 15 7.403 37.176 -13.640 85 H ALA 16 H ALA 16 9.666 34.416 -12.499 86 HA ALA 16 HA ALA 16 8.541 33.996 -9.953 87 HB1 ALA 16 HB1 ALA 16 10.740 34.022 -9.109 88 HB2 ALA 16 HB2 ALA 16 11.274 35.221 -10.286 89 HB3 ALA 16 HB3 ALA 16 10.959 33.563 -10.798 90 H ALA 17 H ALA 17 9.387 37.005 -11.557 91 HA ALA 17 HA ALA 17 9.393 38.709 -9.265 92 HB1 ALA 17 HB1 ALA 17 9.167 39.035 -12.185 93 HB2 ALA 17 HB2 ALA 17 10.065 39.999 -11.013 94 HB3 ALA 17 HB3 ALA 17 8.342 40.288 -11.258 95 H THR 18 H THR 18 6.770 37.407 -11.240 96 HA THR 18 HA THR 18 4.847 38.568 -9.264 97 HB THR 18 HB THR 18 4.412 39.766 -11.265 98 HG1 THR 18 HG1 THR 18 2.389 39.117 -11.682 99 HG21 THR 18 3HG2 THR 18 4.696 37.110 -12.696 100 HG22 THR 18 1HG2 THR 18 5.831 38.459 -12.761 101 HG23 THR 18 2HG2 THR 18 4.223 38.624 -13.469 102 H CYS 19 H CYS 19 6.283 35.834 -9.833 103 HA CYS 19 HA CYS 19 5.694 33.552 -9.936 104 HB2 CYS 19 HB2 CYS 19 3.938 33.025 -8.128 105 HB3 CYS 19 HB1 CYS 19 5.405 33.842 -7.603 106 H LYS 20 H LYS 20 4.355 35.156 -11.979 107 HA LYS 20 HA LYS 20 1.904 33.458 -12.263 108 HB2 LYS 20 HB2 LYS 20 1.928 36.239 -11.908 109 HB3 LYS 20 HB1 LYS 20 1.658 36.006 -13.636 110 HG2 LYS 20 HG2 LYS 20 0.113 34.407 -11.598 111 HG3 LYS 20 HG1 LYS 20 -0.417 36.021 -12.076 112 HD2 LYS 20 HD2 LYS 20 0.289 34.398 -14.391 113 HD3 LYS 20 HD1 LYS 20 -0.976 33.637 -13.425 114 HE2 LYS 20 HE2 LYS 20 -1.113 36.561 -14.158 115 HE3 LYS 20 HE1 LYS 20 -1.721 35.312 -15.246 116 HZ1 LYS 20 HZ1 LYS 20 -2.541 35.187 -12.445 117 HZ2 LYS 20 HZ2 LYS 20 -3.403 34.773 -13.850 118 HZ3 LYS 20 HZ3 LYS 20 -3.230 36.403 -13.405 119 H LEU 21 H LEU 21 1.516 32.673 -14.347 120 HA LEU 21 HA LEU 21 3.779 32.496 -16.124 121 HB2 LEU 21 HB2 LEU 21 0.964 31.895 -16.999 122 HB3 LEU 21 HB1 LEU 21 2.458 31.057 -17.409 123 HG LEU 21 HG LEU 21 2.250 30.904 -14.608 124 HD11 LEU 21 1HD1 LEU 21 0.036 31.036 -14.173 125 HD12 LEU 21 2HD1 LEU 21 -0.130 29.514 -15.049 126 HD13 LEU 21 3HD1 LEU 21 -0.366 31.046 -15.890 127 HD21 LEU 21 3HD2 LEU 21 2.476 28.635 -15.015 128 HD22 LEU 21 1HD2 LEU 21 2.964 29.266 -16.588 129 HD23 LEU 21 2HD2 LEU 21 1.327 28.656 -16.353 130 H ARG 22 H ARG 22 4.445 34.059 -17.474 131 HA ARG 22 HA ARG 22 2.760 36.357 -18.079 132 HB2 ARG 22 HB2 ARG 22 5.496 35.889 -17.987 133 HB3 ARG 22 HB1 ARG 22 5.170 36.091 -19.708 134 HG2 ARG 22 HG2 ARG 22 5.367 38.313 -19.186 135 HG3 ARG 22 HG1 ARG 22 3.673 38.118 -18.729 136 HD2 ARG 22 HD2 ARG 22 4.382 37.623 -16.398 137 HD3 ARG 22 HD1 ARG 22 6.059 37.899 -16.868 138 HE ARG 22 HE ARG 22 5.617 40.191 -16.629 139 HH11 ARG 22 1HH1 ARG 22 2.824 38.982 -15.597 140 HH12 ARG 22 2HH1 ARG 22 1.765 40.130 -16.345 141 HH21 ARG 22 1HH2 ARG 22 4.227 41.465 -18.391 142 HH22 ARG 22 2HH2 ARG 22 2.560 41.540 -17.925 143 HA PRO 23 HA PRO 23 2.939 34.562 -22.501 144 HB2 PRO 23 HB2 PRO 23 3.980 32.030 -22.799 145 HB3 PRO 23 HB1 PRO 23 4.939 33.514 -22.927 146 HG2 PRO 23 HG2 PRO 23 4.844 31.527 -20.706 147 HG3 PRO 23 HG1 PRO 23 6.153 32.624 -21.176 148 HD2 PRO 23 HD2 PRO 23 4.372 33.001 -19.014 149 HD3 PRO 23 HD1 PRO 23 5.459 34.231 -19.696 150 H GLY 24 H GLY 24 1.689 32.740 -23.693 151 HA2 GLY 24 HA2 GLY 24 -0.726 32.173 -22.293 152 HA3 GLY 24 HA1 GLY 24 -0.258 31.442 -23.828 153 H ALA 25 H ALA 25 0.335 31.198 -20.317 154 HA ALA 25 HA ALA 25 0.854 28.282 -20.737 155 HB1 ALA 25 HB1 ALA 25 2.803 28.811 -19.688 156 HB2 ALA 25 HB2 ALA 25 1.817 28.828 -18.226 157 HB3 ALA 25 HB3 ALA 25 2.164 30.334 -19.074 158 H GLN 26 H GLN 26 0.090 26.910 -18.880 159 HA GLN 26 HA GLN 26 -2.526 27.946 -17.902 160 HB2 GLN 26 HB2 GLN 26 -1.418 25.209 -18.439 161 HB3 GLN 26 HB1 GLN 26 -2.770 25.397 -17.326 162 HG2 GLN 26 HG2 GLN 26 -4.101 26.485 -19.037 163 HG3 GLN 26 HG1 GLN 26 -2.732 26.497 -20.149 164 HE21 GLN 26 1HE2 GLN 26 -5.248 25.174 -20.747 165 HE22 GLN 26 2HE2 GLN 26 -4.936 23.510 -20.859 166 H CYS 27 H CYS 27 0.192 25.931 -16.710 167 HA CYS 27 HA CYS 27 -0.069 27.293 -14.088 168 HB2 CYS 27 HB2 CYS 27 0.263 24.844 -13.112 169 HB3 CYS 27 HB1 CYS 27 -1.349 25.467 -13.462 170 H GLY 28 H GLY 28 1.882 27.444 -12.991 171 HA2 GLY 28 HA2 GLY 28 4.280 26.664 -14.528 172 HA3 GLY 28 HA1 GLY 28 4.260 27.714 -13.110 173 H GLU 29 H GLU 29 2.514 25.728 -11.674 174 HA GLU 29 HA GLU 29 4.406 23.462 -11.337 175 HB2 GLU 29 HB2 GLU 29 4.726 25.532 -9.698 176 HB3 GLU 29 HB1 GLU 29 3.362 24.783 -8.869 177 HG2 GLU 29 HG2 GLU 29 5.414 23.886 -7.935 178 HG3 GLU 29 HG1 GLU 29 4.624 22.617 -8.873 179 H GLY 30 H GLY 30 3.403 21.716 -9.972 180 HA2 GLY 30 HA2 GLY 30 0.921 21.436 -8.932 181 HA3 GLY 30 HA1 GLY 30 0.548 21.469 -10.655 182 H LEU 31 H LEU 31 0.073 19.181 -9.014 183 HA LEU 31 HA LEU 31 2.223 17.269 -9.253 184 HB2 LEU 31 HB2 LEU 31 -0.703 17.134 -8.617 185 HB3 LEU 31 HB1 LEU 31 0.145 15.643 -9.025 186 HG LEU 31 HG LEU 31 0.920 17.592 -6.836 187 HD11 LEU 31 1HD1 LEU 31 0.173 14.706 -6.460 188 HD12 LEU 31 2HD1 LEU 31 -1.095 15.923 -6.613 189 HD13 LEU 31 3HD1 LEU 31 0.084 16.037 -5.307 190 HD21 LEU 31 3HD2 LEU 31 2.338 15.246 -6.475 191 HD22 LEU 31 1HD2 LEU 31 2.989 16.724 -7.183 192 HD23 LEU 31 2HD2 LEU 31 2.368 15.446 -8.227 193 H CYS 32 H CYS 32 0.156 18.661 -11.544 194 HA CYS 32 HA CYS 32 1.055 16.707 -13.557 195 HB2 CYS 32 HB2 CYS 32 -1.713 16.874 -12.558 196 HB3 CYS 32 HB1 CYS 32 -1.562 16.924 -14.315 197 H CYS 33 H CYS 33 2.205 18.842 -13.921 198 HA CYS 33 HA CYS 33 0.707 20.359 -15.969 199 HB2 CYS 33 HB2 CYS 33 0.444 21.571 -13.763 200 HB3 CYS 33 HB1 CYS 33 2.196 21.768 -13.733 201 H GLU 34 H GLU 34 2.121 19.532 -17.545 202 HA GLU 34 HA GLU 34 5.018 20.138 -17.161 203 HB2 GLU 34 HB2 GLU 34 4.742 17.788 -17.510 204 HB3 GLU 34 HB1 GLU 34 3.590 18.048 -18.819 205 HG2 GLU 34 HG2 GLU 34 5.226 18.417 -20.356 206 HG3 GLU 34 HG1 GLU 34 6.217 19.334 -19.222 207 H GLN 35 H GLN 35 6.053 21.386 -18.713 208 HA GLN 35 HA GLN 35 6.265 22.848 -20.527 209 HB2 GLN 35 HB2 GLN 35 4.400 20.784 -21.436 210 HB3 GLN 35 HB1 GLN 35 4.128 22.341 -22.221 211 HG2 GLN 35 HG2 GLN 35 6.212 22.359 -23.225 212 HG3 GLN 35 HG1 GLN 35 6.947 21.376 -21.957 213 HE21 GLN 35 1HE2 GLN 35 7.348 20.666 -24.672 214 HE22 GLN 35 2HE2 GLN 35 6.508 19.228 -24.998 215 H CYS 36 H CYS 36 4.617 23.465 -18.161 216 HA CYS 36 HA CYS 36 3.279 25.261 -17.458 217 HB2 CYS 36 HB2 CYS 36 3.262 26.167 -20.345 218 HB3 CYS 36 HB1 CYS 36 3.060 27.154 -18.894 219 H LYS 37 H LYS 37 2.300 22.756 -19.190 220 HA LYS 37 HA LYS 37 -0.514 23.747 -19.360 221 HB2 LYS 37 HB2 LYS 37 1.078 22.030 -21.226 222 HB3 LYS 37 HB1 LYS 37 -0.654 21.727 -21.072 223 HG2 LYS 37 HG2 LYS 37 -0.927 24.281 -21.400 224 HG3 LYS 37 HG1 LYS 37 0.735 24.243 -21.988 225 HD2 LYS 37 HD2 LYS 37 0.041 22.456 -23.620 226 HD3 LYS 37 HD1 LYS 37 -1.630 22.719 -23.115 227 HE2 LYS 37 HE2 LYS 37 -1.345 25.151 -23.716 228 HE3 LYS 37 HE1 LYS 37 0.228 24.739 -24.398 229 HZ1 LYS 37 HZ1 LYS 37 -2.366 23.553 -25.229 230 HZ2 LYS 37 HZ2 LYS 37 -0.846 23.201 -25.901 231 HZ3 LYS 37 HZ3 LYS 37 -1.518 24.751 -26.080 232 H PHE 38 H PHE 38 -2.149 22.035 -18.939 233 HA PHE 38 HA PHE 38 -1.487 20.529 -16.576 234 HB2 PHE 38 HB2 PHE 38 -3.886 20.160 -18.395 235 HB3 PHE 38 HB1 PHE 38 -3.760 19.685 -16.701 236 HD1 PHE 38 HD1 PHE 38 -2.489 21.946 -15.410 237 HD2 PHE 38 HD2 PHE 38 -5.439 21.915 -18.534 238 HE1 PHE 38 HE1 PHE 38 -3.249 24.202 -14.715 239 HE2 PHE 38 HE2 PHE 38 -6.198 24.172 -17.838 240 HZ PHE 38 HZ PHE 38 -5.103 25.315 -15.929 241 H SER 39 H SER 39 -1.174 18.284 -16.344 242 HA SER 39 HA SER 39 0.199 16.938 -18.442 243 HB2 SER 39 HB2 SER 39 0.424 16.383 -16.024 244 HB3 SER 39 HB1 SER 39 -1.205 15.714 -16.044 245 HG SER 39 HG SER 39 0.586 14.833 -17.990 246 H ARG 40 H ARG 40 -1.922 14.557 -17.492 247 HA ARG 40 HA ARG 40 -3.792 15.093 -19.749 248 HB2 ARG 40 HB2 ARG 40 -1.863 12.871 -19.431 249 HB3 ARG 40 HB1 ARG 40 -3.498 12.380 -19.876 250 HG2 ARG 40 HG2 ARG 40 -3.415 14.145 -21.700 251 HG3 ARG 40 HG1 ARG 40 -1.696 14.319 -21.343 252 HD2 ARG 40 HD2 ARG 40 -1.862 11.619 -21.563 253 HD3 ARG 40 HD1 ARG 40 -3.133 12.099 -22.687 254 HE ARG 40 HE ARG 40 -0.312 12.362 -23.162 255 HH11 ARG 40 1HH1 ARG 40 -3.408 13.812 -23.643 256 HH12 ARG 40 2HH1 ARG 40 -2.896 14.768 -24.992 257 HH21 ARG 40 1HH2 ARG 40 0.391 13.671 -24.867 258 HH22 ARG 40 2HH2 ARG 40 -0.748 14.690 -25.684 259 H ALA 41 H ALA 41 -5.819 13.864 -19.553 260 HA ALA 41 HA ALA 41 -6.809 13.804 -16.859 261 HB1 ALA 41 HB1 ALA 41 -8.572 14.110 -18.301 262 HB2 ALA 41 HB2 ALA 41 -8.663 12.354 -18.175 263 HB3 ALA 41 HB3 ALA 41 -7.855 13.097 -19.555 264 H GLY 42 H GLY 42 -6.775 12.158 -15.385 265 HA2 GLY 42 HA2 GLY 42 -6.671 9.927 -14.579 266 HA3 GLY 42 HA1 GLY 42 -6.540 9.364 -16.244 267 H LYS 43 H LYS 43 -4.438 11.919 -15.237 268 HA LYS 43 HA LYS 43 -2.096 10.232 -15.720 269 HB2 LYS 43 HB2 LYS 43 -1.983 12.524 -16.469 270 HB3 LYS 43 HB1 LYS 43 -2.416 13.123 -14.867 271 HG2 LYS 43 HG2 LYS 43 0.014 13.317 -15.263 272 HG3 LYS 43 HG1 LYS 43 -0.330 12.196 -13.946 273 HD2 LYS 43 HD2 LYS 43 -0.206 10.313 -15.623 274 HD3 LYS 43 HD1 LYS 43 0.363 11.488 -16.810 275 HE2 LYS 43 HE2 LYS 43 2.339 11.948 -15.551 276 HE3 LYS 43 HE1 LYS 43 1.713 11.112 -14.130 277 HZ1 LYS 43 HZ1 LYS 43 1.692 9.055 -15.505 278 HZ2 LYS 43 HZ2 LYS 43 3.245 9.673 -15.201 279 HZ3 LYS 43 HZ3 LYS 43 2.517 9.906 -16.718 280 H ILE 44 H ILE 44 -0.924 9.192 -14.147 281 HA ILE 44 HA ILE 44 -1.889 8.958 -11.486 282 HB ILE 44 HB ILE 44 0.796 8.388 -12.728 283 HG12 ILE 44 2HG1 ILE 44 -1.170 6.996 -13.381 284 HG13 ILE 44 1HG1 ILE 44 0.061 6.064 -12.529 285 HG21 ILE 44 1HG2 ILE 44 -0.145 7.842 -9.898 286 HG22 ILE 44 2HG2 ILE 44 1.220 8.850 -10.378 287 HG23 ILE 44 3HG2 ILE 44 1.282 7.105 -10.626 288 HD11 ILE 44 3HD1 ILE 44 -2.637 6.957 -11.576 289 HD12 ILE 44 1HD1 ILE 44 -1.342 6.751 -10.396 290 HD13 ILE 44 2HD1 ILE 44 -1.851 5.389 -11.393 291 H CYS 45 H CYS 45 -1.629 10.228 -9.726 292 HA CYS 45 HA CYS 45 0.403 12.422 -9.865 293 HB2 CYS 45 HB2 CYS 45 -1.226 13.534 -8.169 294 HB3 CYS 45 HB1 CYS 45 -1.684 13.520 -9.873 295 H ARG 46 H ARG 46 -1.166 9.981 -7.842 296 HA ARG 46 HA ARG 46 1.184 10.065 -6.033 297 HB2 ARG 46 HB2 ARG 46 -1.635 10.723 -5.300 298 HB3 ARG 46 HB1 ARG 46 -0.704 9.753 -4.158 299 HG2 ARG 46 HG2 ARG 46 1.088 11.459 -4.180 300 HG3 ARG 46 HG1 ARG 46 0.132 12.436 -5.296 301 HD2 ARG 46 HD2 ARG 46 -1.639 12.677 -3.647 302 HD3 ARG 46 HD1 ARG 46 -0.810 11.577 -2.546 303 HE ARG 46 HE ARG 46 0.756 13.937 -3.317 304 HH11 ARG 46 1HH2 ARG 46 -2.074 13.972 -1.695 305 HH12 ARG 46 2HH2 ARG 46 -1.432 14.367 -0.136 306 HH21 ARG 46 1HH1 ARG 46 1.863 13.805 -1.053 307 HH22 ARG 46 2HH1 ARG 46 0.794 14.274 0.227 308 H ILE 47 H ILE 47 1.736 8.049 -5.304 309 HA ILE 47 HA ILE 47 -0.232 5.850 -5.562 310 HB ILE 47 HB ILE 47 1.979 6.321 -7.367 311 HG12 ILE 47 2HG1 ILE 47 -0.346 5.636 -7.935 312 HG13 ILE 47 1HG1 ILE 47 0.865 4.559 -8.633 313 HG21 ILE 47 1HG2 ILE 47 2.746 3.864 -7.323 314 HG22 ILE 47 2HG2 ILE 47 2.116 3.827 -5.676 315 HG23 ILE 47 3HG2 ILE 47 3.419 4.939 -6.097 316 HD11 ILE 47 3HD1 ILE 47 0.418 3.403 -6.175 317 HD12 ILE 47 1HD1 ILE 47 -0.345 2.892 -7.679 318 HD13 ILE 47 2HD1 ILE 47 -1.186 4.002 -6.597 319 HA PRO 48 HA PRO 48 2.006 5.386 -1.660 320 HB2 PRO 48 HB2 PRO 48 -0.152 4.335 -0.324 321 HB3 PRO 48 HB1 PRO 48 0.095 6.074 -0.555 322 HG2 PRO 48 HG2 PRO 48 -1.870 4.280 -1.873 323 HG3 PRO 48 HG1 PRO 48 -1.919 6.039 -1.673 324 HD2 PRO 48 HD2 PRO 48 -1.178 4.589 -4.035 325 HD3 PRO 48 HD1 PRO 48 -1.102 6.345 -3.789 326 H ARG 49 H ARG 49 -0.438 2.891 -1.492 327 HA ARG 49 HA ARG 49 1.677 0.831 -1.966 328 HB2 ARG 49 HB2 ARG 49 -0.346 1.170 0.123 329 HB3 ARG 49 HB1 ARG 49 -0.435 -0.417 -0.642 330 HG2 ARG 49 HG2 ARG 49 2.160 0.785 0.349 331 HG3 ARG 49 HG1 ARG 49 1.145 -0.261 1.344 332 HD2 ARG 49 HD2 ARG 49 1.301 -1.724 -0.960 333 HD3 ARG 49 HD1 ARG 49 2.886 -0.949 -0.939 334 HE ARG 49 HE ARG 49 2.045 -2.232 1.582 335 HH11 ARG 49 1HH1 ARG 49 2.999 -3.303 -1.443 336 HH12 ARG 49 2HH1 ARG 49 4.417 -4.139 -0.902 337 HH21 ARG 49 1HH2 ARG 49 4.229 -2.903 2.334 338 HH22 ARG 49 2HH2 ARG 49 5.112 -3.913 1.239 339 H LEU 50 H LEU 50 0.684 -1.284 -2.845 340 HA LEU 50 HA LEU 50 -1.136 -0.530 -5.046 341 HB2 LEU 50 HB2 LEU 50 0.425 -3.058 -4.497 342 HB3 LEU 50 HB1 LEU 50 -0.624 -2.826 -5.896 343 HG LEU 50 HG LEU 50 1.458 -2.206 -6.721 344 HD11 LEU 50 1HD1 LEU 50 -0.313 -0.369 -6.917 345 HD12 LEU 50 2HD1 LEU 50 1.361 0.125 -7.172 346 HD13 LEU 50 3HD1 LEU 50 0.568 0.459 -5.633 347 HD21 LEU 50 3HD2 LEU 50 2.264 -2.107 -4.152 348 HD22 LEU 50 1HD2 LEU 50 2.222 -0.381 -4.512 349 HD23 LEU 50 2HD2 LEU 50 3.232 -1.458 -5.475 350 H ASP 51 H ASP 51 -1.545 -1.545 -1.958 351 HA ASP 51 HA ASP 51 -3.747 -3.422 -2.515 352 HB2 ASP 51 HB2 ASP 51 -2.206 -3.491 -0.433 353 HB3 ASP 51 HB1 ASP 51 -3.142 -2.111 0.143 354 H MET 52 H MET 52 -3.455 -0.382 -3.254 355 HA MET 52 HA MET 52 -6.268 0.287 -2.573 356 HB2 MET 52 HB2 MET 52 -3.833 1.677 -1.606 357 HB3 MET 52 HB1 MET 52 -5.085 2.728 -2.265 358 HG2 MET 52 HG2 MET 52 -6.353 2.457 -0.422 359 HG3 MET 52 HG1 MET 52 -6.280 0.702 -0.585 360 HE1 MET 52 HE1 MET 52 -6.370 2.757 1.849 361 HE2 MET 52 HE2 MET 52 -5.040 3.815 1.383 362 HE3 MET 52 HE3 MET 52 -4.909 2.839 2.843 363 HA PRO 53 HA PRO 53 -6.264 1.953 -6.636 364 HB2 PRO 53 HB2 PRO 53 -7.766 4.243 -6.357 365 HB3 PRO 53 HB1 PRO 53 -8.450 2.610 -6.339 366 HG2 PRO 53 HG2 PRO 53 -7.986 4.477 -4.056 367 HG3 PRO 53 HG1 PRO 53 -9.198 3.196 -4.230 368 HD2 PRO 53 HD2 PRO 53 -6.826 3.005 -2.723 369 HD3 PRO 53 HD1 PRO 53 -7.837 1.637 -3.234 370 H ASP 54 H ASP 54 -5.164 3.450 -7.988 371 HA ASP 54 HA ASP 54 -3.172 5.128 -6.596 372 HB2 ASP 54 HB2 ASP 54 -3.456 4.749 -9.582 373 HB3 ASP 54 HB1 ASP 54 -2.012 5.201 -8.675 374 H ASP 55 H ASP 55 -3.230 7.346 -6.574 375 HA ASP 55 HA ASP 55 -5.656 8.697 -7.406 376 HB2 ASP 55 HB2 ASP 55 -2.994 9.651 -6.329 377 HB3 ASP 55 HB1 ASP 55 -4.271 10.776 -6.793 378 H ARG 56 H ARG 56 -5.858 10.236 -9.134 379 HA ARG 56 HA ARG 56 -3.602 10.288 -11.081 380 HB2 ARG 56 HB2 ARG 56 -6.476 9.810 -11.903 381 HB3 ARG 56 HB1 ARG 56 -5.039 9.735 -12.925 382 HG2 ARG 56 HG2 ARG 56 -4.310 7.931 -11.076 383 HG3 ARG 56 HG1 ARG 56 -6.060 7.758 -10.941 384 HD2 ARG 56 HD2 ARG 56 -5.256 7.897 -13.725 385 HD3 ARG 56 HD1 ARG 56 -4.408 6.594 -12.890 386 HE ARG 56 HE ARG 56 -7.388 6.845 -12.988 387 HH11 ARG 56 1HH2 ARG 56 -4.755 4.991 -13.903 388 HH12 ARG 56 2HH2 ARG 56 -5.388 3.484 -13.331 389 HH21 ARG 56 1HH1 ARG 56 -8.089 4.930 -11.709 390 HH22 ARG 56 2HH1 ARG 56 -7.273 3.450 -12.087 391 H CYS 57 H CYS 57 -4.091 11.965 -12.844 392 HA CYS 57 HA CYS 57 -5.186 14.395 -11.524 393 HB2 CYS 57 HB2 CYS 57 -3.709 14.280 -14.159 394 HB3 CYS 57 HB1 CYS 57 -3.865 15.645 -13.057 395 H THR 58 H THR 58 -6.682 15.762 -12.695 396 HA THR 58 HA THR 58 -8.613 14.234 -14.267 397 HB THR 58 HB THR 58 -9.821 16.469 -14.328 398 HG1 THR 58 HG1 THR 58 -8.935 18.026 -12.883 399 HG21 THR 58 3HG2 THR 58 -10.609 15.119 -12.621 400 HG22 THR 58 1HG2 THR 58 -9.970 16.466 -11.680 401 HG23 THR 58 2HG2 THR 58 -9.027 14.986 -11.854 402 H GLY 59 H GLY 59 -5.841 16.073 -14.990 403 HA2 GLY 59 HA2 GLY 59 -4.925 16.315 -17.192 404 HA3 GLY 59 HA1 GLY 59 -6.515 15.950 -17.865 405 H GLN 60 H GLN 60 -7.955 17.858 -16.221 406 HA GLN 60 HA GLN 60 -7.222 20.319 -17.699 407 HB2 GLN 60 HB2 GLN 60 -9.648 19.794 -15.958 408 HB3 GLN 60 HB1 GLN 60 -9.433 21.117 -17.103 409 HG2 GLN 60 HG2 GLN 60 -9.978 19.819 -18.881 410 HG3 GLN 60 HG1 GLN 60 -9.024 18.459 -18.290 411 HE21 GLN 60 1HE2 GLN 60 -12.222 19.564 -18.735 412 HE22 GLN 60 2HE2 GLN 60 -13.006 18.428 -17.749 413 H SER 61 H SER 61 -6.831 18.936 -14.604 414 HA SER 61 HA SER 61 -6.442 21.640 -13.385 415 HB2 SER 61 HB2 SER 61 -7.416 19.056 -12.355 416 HB3 SER 61 HB1 SER 61 -6.248 19.857 -11.307 417 HG SER 61 HG SER 61 -7.702 21.793 -11.913 418 H ALA 62 H ALA 62 -4.491 21.990 -12.142 419 HA ALA 62 HA ALA 62 -2.173 20.547 -13.258 420 HB1 ALA 62 HB1 ALA 62 -2.376 22.914 -11.366 421 HB2 ALA 62 HB2 ALA 62 -2.028 22.979 -13.093 422 HB3 ALA 62 HB3 ALA 62 -0.860 22.260 -11.986 423 H ASP 63 H ASP 63 -3.708 21.080 -10.090 424 HA ASP 63 HA ASP 63 -1.765 19.313 -8.766 425 HB2 ASP 63 HB2 ASP 63 -4.340 20.317 -7.554 426 HB3 ASP 63 HB1 ASP 63 -2.829 19.913 -6.739 427 H CYS 64 H CYS 64 -2.939 17.578 -7.238 428 HA CYS 64 HA CYS 64 -4.843 16.088 -9.002 429 HB2 CYS 64 HB2 CYS 64 -2.668 14.950 -8.810 430 HB3 CYS 64 HB1 CYS 64 -2.793 14.990 -7.050 431 HA PRO 65 HA PRO 65 -7.269 16.918 -5.302 432 HB2 PRO 65 HB2 PRO 65 -9.555 17.283 -6.763 433 HB3 PRO 65 HB1 PRO 65 -8.416 18.584 -6.410 434 HG2 PRO 65 HG2 PRO 65 -8.914 17.132 -8.959 435 HG3 PRO 65 HG1 PRO 65 -8.240 18.750 -8.705 436 HD2 PRO 65 HD2 PRO 65 -6.774 16.410 -9.319 437 HD3 PRO 65 HD1 PRO 65 -6.101 17.959 -8.770 438 H ARG 66 H ARG 66 -6.605 14.350 -5.551 439 HA ARG 66 HA ARG 66 -9.174 12.892 -6.041 440 HB2 ARG 66 HB2 ARG 66 -6.947 12.444 -7.455 441 HB3 ARG 66 HB1 ARG 66 -6.571 11.428 -6.063 442 HG2 ARG 66 HG2 ARG 66 -7.858 9.840 -7.018 443 HG3 ARG 66 HG1 ARG 66 -9.246 10.853 -6.618 444 HD2 ARG 66 HD2 ARG 66 -8.847 12.078 -8.804 445 HD3 ARG 66 HD1 ARG 66 -7.677 10.821 -9.207 446 HE ARG 66 HE ARG 66 -9.483 9.250 -9.411 447 HH11 ARG 66 1HH2 ARG 66 -10.546 12.137 -10.299 448 HH12 ARG 66 2HH2 ARG 66 -12.182 11.983 -9.751 449 HH21 ARG 66 1HH1 ARG 66 -11.562 9.145 -7.858 450 HH22 ARG 66 2HH1 ARG 66 -12.757 10.291 -8.369 451 H TYR 67 H TYR 67 -7.101 13.955 -3.662 452 HA TYR 67 HA TYR 67 -8.306 12.124 -1.707 453 HB2 TYR 67 HB2 TYR 67 -5.695 11.609 -2.750 454 HB3 TYR 67 HB1 TYR 67 -5.515 12.151 -1.081 455 HD1 TYR 67 HD2 TYR 67 -7.337 9.723 -3.251 456 HD2 TYR 67 HD1 TYR 67 -6.093 10.741 0.732 457 HE1 TYR 67 HE2 TYR 67 -8.106 7.506 -2.444 458 HE2 TYR 67 HE1 TYR 67 -6.861 8.526 1.539 459 HH TYR 67 HH TYR 67 -8.321 6.755 0.931 460 H HIS 68 H HIS 68 -9.202 14.199 -1.035 461 HA HIS 68 HA HIS 68 -7.299 16.212 -0.008 462 HB2 HIS 68 HB2 HIS 68 -10.066 16.189 -0.864 463 HB3 HIS 68 HB1 HIS 68 -9.929 16.901 0.744 464 HD1 HIS 68 HD1 HIS 68 -9.683 19.365 0.543 465 HD2 HIS 68 HD2 HIS 68 -7.634 17.380 -2.497 466 HE1 HIS 68 HE1 HIS 68 -8.533 21.153 -0.831 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -9.483 34.641 -8.729 2 H2 GLY 1 HT2 GLY 1 -8.601 34.650 -7.276 3 H3 GLY 1 HT3 GLY 1 -8.030 33.772 -8.615 4 HA2 GLY 1 HA1 GLY 1 -7.838 35.903 -9.853 5 HA3 GLY 1 HA2 GLY 1 -8.205 36.719 -8.334 6 H LYS 2 H LYS 2 -5.998 34.200 -9.607 7 HA LYS 2 HA LYS 2 -3.947 35.190 -7.675 8 HB2 LYS 2 HB2 LYS 2 -3.768 32.618 -9.242 9 HB3 LYS 2 HB1 LYS 2 -2.954 33.046 -7.736 10 HG2 LYS 2 HG2 LYS 2 -5.953 32.704 -8.023 11 HG3 LYS 2 HG1 LYS 2 -4.865 31.470 -7.388 12 HD2 LYS 2 HD2 LYS 2 -4.528 32.585 -5.412 13 HD3 LYS 2 HD1 LYS 2 -4.663 34.175 -6.167 14 HE2 LYS 2 HE2 LYS 2 -7.195 33.034 -6.493 15 HE3 LYS 2 HE1 LYS 2 -6.716 32.581 -4.857 16 HZ1 LYS 2 HZ1 LYS 2 -7.619 34.643 -4.519 17 HZ2 LYS 2 HZ2 LYS 2 -7.091 35.255 -6.013 18 HZ3 LYS 2 HZ3 LYS 2 -5.989 35.054 -4.736 19 H GLU 3 H GLU 3 -1.624 34.927 -8.633 20 HA GLU 3 HA GLU 3 -1.657 35.845 -11.485 21 HB2 GLU 3 HB2 GLU 3 0.249 37.333 -10.906 22 HB3 GLU 3 HB1 GLU 3 -1.216 37.751 -10.016 23 HG2 GLU 3 HG2 GLU 3 -0.202 36.048 -8.240 24 HG3 GLU 3 HG1 GLU 3 1.312 36.495 -9.026 25 H CYS 4 H CYS 4 -0.373 33.569 -9.259 26 HA CYS 4 HA CYS 4 1.787 33.023 -11.215 27 HB2 CYS 4 HB2 CYS 4 2.585 33.517 -8.903 28 HB3 CYS 4 HB1 CYS 4 1.744 32.067 -8.362 29 H ASP 5 H ASP 5 1.287 31.534 -12.578 30 HA ASP 5 HA ASP 5 -0.568 29.350 -11.815 31 HB2 ASP 5 HB2 ASP 5 -0.757 30.817 -13.949 32 HB3 ASP 5 HB1 ASP 5 0.602 29.867 -14.551 33 H CYS 6 H CYS 6 2.759 30.009 -12.282 34 HA CYS 6 HA CYS 6 3.476 27.235 -11.706 35 HB2 CYS 6 HB2 CYS 6 3.410 26.765 -13.979 36 HB3 CYS 6 HB1 CYS 6 3.752 28.427 -14.435 37 H SER 7 H SER 7 5.340 27.287 -10.495 38 HA SER 7 HA SER 7 6.887 29.848 -10.527 39 HB2 SER 7 HB2 SER 7 7.334 29.540 -8.203 40 HB3 SER 7 HB1 SER 7 5.618 29.199 -8.404 41 HG SER 7 HG SER 7 7.501 27.617 -7.434 42 H SER 8 H SER 8 7.615 27.991 -12.437 43 HA SER 8 HA SER 8 9.859 26.430 -11.288 44 HB2 SER 8 HB2 SER 8 8.113 25.927 -13.385 45 HB3 SER 8 HB1 SER 8 9.595 26.410 -14.203 46 HG SER 8 HG SER 8 9.833 24.673 -12.042 47 HA PRO 9 HA PRO 9 12.572 29.772 -12.400 48 HB2 PRO 9 HB2 PRO 9 14.891 28.518 -11.626 49 HB3 PRO 9 HB1 PRO 9 13.756 29.266 -10.489 50 HG2 PRO 9 HG2 PRO 9 14.215 26.374 -11.052 51 HG3 PRO 9 HG1 PRO 9 13.609 27.148 -9.578 52 HD2 PRO 9 HD2 PRO 9 12.037 25.822 -11.528 53 HD3 PRO 9 HD1 PRO 9 11.429 26.865 -10.224 54 H GLU 10 H GLU 10 12.081 27.023 -14.104 55 HA GLU 10 HA GLU 10 14.005 27.841 -16.193 56 HB2 GLU 10 HB2 GLU 10 14.906 25.940 -14.569 57 HB3 GLU 10 HB1 GLU 10 13.886 24.915 -15.579 58 HG2 GLU 10 HG2 GLU 10 15.146 26.429 -17.475 59 HG3 GLU 10 HG1 GLU 10 16.406 26.303 -16.248 60 H ASN 11 H ASN 11 11.455 28.352 -16.571 61 HA ASN 11 HA ASN 11 10.562 26.203 -18.428 62 HB2 ASN 11 HB2 ASN 11 9.288 26.829 -15.985 63 HB3 ASN 11 HB1 ASN 11 8.281 27.525 -17.254 64 HD21 ASN 11 1HD2 ASN 11 7.405 25.251 -15.736 65 HD22 ASN 11 2HD2 ASN 11 7.335 23.913 -16.778 66 HA PRO 12 HA PRO 12 10.220 29.827 -20.981 67 HB2 PRO 12 HB2 PRO 12 9.321 28.505 -23.217 68 HB3 PRO 12 HB1 PRO 12 11.018 28.517 -22.706 69 HG2 PRO 12 HG2 PRO 12 9.014 26.320 -22.503 70 HG3 PRO 12 HG1 PRO 12 10.779 26.222 -22.606 71 HD2 PRO 12 HD2 PRO 12 9.233 25.933 -20.250 72 HD3 PRO 12 HD1 PRO 12 10.993 26.156 -20.327 73 H CYS 13 H CYS 13 7.599 27.435 -20.729 74 HA CYS 13 HA CYS 13 5.537 29.105 -21.830 75 HB2 CYS 13 HB2 CYS 13 5.544 26.665 -20.066 76 HB3 CYS 13 HB1 CYS 13 4.038 27.505 -20.436 77 H CYS 14 H CYS 14 6.227 28.289 -18.398 78 HA CYS 14 HA CYS 14 4.649 30.683 -17.633 79 HB2 CYS 14 HB2 CYS 14 4.860 29.770 -15.315 80 HB3 CYS 14 HB1 CYS 14 4.067 28.661 -16.430 81 H ASP 15 H ASP 15 5.712 32.539 -17.270 82 HA ASP 15 HA ASP 15 8.611 32.623 -17.098 83 HB2 ASP 15 HB2 ASP 15 6.382 34.594 -17.133 84 HB3 ASP 15 HB1 ASP 15 7.880 35.117 -16.365 85 H ALA 16 H ALA 16 9.872 32.842 -15.264 86 HA ALA 16 HA ALA 16 8.604 32.240 -12.697 87 HB1 ALA 16 HB1 ALA 16 11.406 32.513 -13.710 88 HB2 ALA 16 HB2 ALA 16 10.669 31.197 -12.798 89 HB3 ALA 16 HB3 ALA 16 11.131 32.688 -11.978 90 H ALA 17 H ALA 17 10.297 35.005 -14.160 91 HA ALA 17 HA ALA 17 10.247 36.688 -11.852 92 HB1 ALA 17 HB1 ALA 17 10.121 38.486 -13.867 93 HB2 ALA 17 HB2 ALA 17 10.615 37.058 -14.778 94 HB3 ALA 17 HB3 ALA 17 11.605 37.636 -13.436 95 H THR 18 H THR 18 7.903 36.212 -14.485 96 HA THR 18 HA THR 18 6.043 38.102 -13.157 97 HB THR 18 HB THR 18 4.604 37.535 -15.205 98 HG1 THR 18 HG1 THR 18 6.020 36.696 -16.928 99 HG21 THR 18 3HG2 THR 18 7.239 38.603 -16.125 100 HG22 THR 18 1HG2 THR 18 6.406 39.460 -14.829 101 HG23 THR 18 2HG2 THR 18 5.615 39.239 -16.391 102 H CYS 19 H CYS 19 6.739 34.767 -13.249 103 HA CYS 19 HA CYS 19 5.584 32.894 -12.426 104 HB2 CYS 19 HB2 CYS 19 5.191 35.044 -10.632 105 HB3 CYS 19 HB1 CYS 19 3.620 34.290 -10.816 106 H LYS 20 H LYS 20 4.655 33.165 -14.859 107 HA LYS 20 HA LYS 20 1.920 32.365 -14.731 108 HB2 LYS 20 HB2 LYS 20 2.228 35.153 -14.603 109 HB3 LYS 20 HB1 LYS 20 1.710 34.820 -16.254 110 HG2 LYS 20 HG2 LYS 20 0.331 33.570 -13.868 111 HG3 LYS 20 HG1 LYS 20 -0.134 35.161 -14.470 112 HD2 LYS 20 HD2 LYS 20 0.095 33.388 -16.708 113 HD3 LYS 20 HD1 LYS 20 -0.914 32.615 -15.485 114 HE2 LYS 20 HE2 LYS 20 -1.384 35.506 -16.104 115 HE3 LYS 20 HE1 LYS 20 -1.974 34.295 -17.241 116 HZ1 LYS 20 HZ1 LYS 20 -3.116 35.075 -14.822 117 HZ2 LYS 20 HZ2 LYS 20 -2.590 33.471 -14.630 118 HZ3 LYS 20 HZ3 LYS 20 -3.656 33.873 -15.891 119 H LEU 21 H LEU 21 1.079 31.820 -16.886 120 HA LEU 21 HA LEU 21 3.267 31.216 -18.747 121 HB2 LEU 21 HB2 LEU 21 0.339 30.707 -19.258 122 HB3 LEU 21 HB1 LEU 21 1.729 29.814 -19.871 123 HG LEU 21 HG LEU 21 1.924 29.740 -17.052 124 HD11 LEU 21 1HD1 LEU 21 -0.646 28.432 -17.535 125 HD12 LEU 21 2HD1 LEU 21 -0.745 30.183 -17.722 126 HD13 LEU 21 3HD1 LEU 21 -0.161 29.489 -16.211 127 HD21 LEU 21 3HD2 LEU 21 2.421 27.610 -17.608 128 HD22 LEU 21 1HD2 LEU 21 2.028 28.022 -19.278 129 HD23 LEU 21 2HD2 LEU 21 0.790 27.340 -18.223 130 H ARG 22 H ARG 22 3.918 32.788 -20.125 131 HA ARG 22 HA ARG 22 2.155 34.969 -20.891 132 HB2 ARG 22 HB2 ARG 22 4.522 35.423 -20.648 133 HB3 ARG 22 HB1 ARG 22 4.924 34.200 -21.848 134 HG2 ARG 22 HG2 ARG 22 3.110 35.784 -23.202 135 HG3 ARG 22 HG1 ARG 22 3.999 36.958 -22.234 136 HD2 ARG 22 HD2 ARG 22 4.964 36.397 -24.551 137 HD3 ARG 22 HD1 ARG 22 6.079 36.337 -23.188 138 HE ARG 22 HE ARG 22 4.771 33.827 -24.126 139 HH11 ARG 22 1HH1 ARG 22 7.486 35.791 -24.557 140 HH12 ARG 22 2HH1 ARG 22 8.645 34.527 -24.322 141 HH21 ARG 22 1HH2 ARG 22 6.284 32.177 -23.364 142 HH22 ARG 22 2HH2 ARG 22 7.965 32.480 -23.648 143 HA PRO 23 HA PRO 23 2.222 32.703 -25.104 144 HB2 PRO 23 HB2 PRO 23 3.027 30.075 -25.111 145 HB3 PRO 23 HB1 PRO 23 4.123 31.437 -25.408 146 HG2 PRO 23 HG2 PRO 23 3.861 29.734 -22.976 147 HG3 PRO 23 HG1 PRO 23 5.267 30.630 -23.571 148 HD2 PRO 23 HD2 PRO 23 3.563 31.430 -21.464 149 HD3 PRO 23 HD1 PRO 23 4.755 32.455 -22.285 150 H GLY 24 H GLY 24 0.825 30.797 -26.031 151 HA2 GLY 24 HA2 GLY 24 -1.565 30.585 -24.435 152 HA3 GLY 24 HA1 GLY 24 -1.277 29.749 -25.960 153 H ALA 25 H ALA 25 -0.639 29.596 -22.469 154 HA ALA 25 HA ALA 25 -0.409 26.630 -22.769 155 HB1 ALA 25 HB1 ALA 25 1.301 28.532 -21.177 156 HB2 ALA 25 HB2 ALA 25 1.806 27.229 -22.251 157 HB3 ALA 25 HB3 ALA 25 1.122 26.852 -20.670 158 H GLN 26 H GLN 26 -1.159 25.438 -20.862 159 HA GLN 26 HA GLN 26 -3.334 26.902 -19.474 160 HB2 GLN 26 HB2 GLN 26 -2.972 24.221 -20.457 161 HB3 GLN 26 HB1 GLN 26 -3.323 24.167 -18.729 162 HG2 GLN 26 HG2 GLN 26 -5.395 25.225 -18.989 163 HG3 GLN 26 HG1 GLN 26 -4.943 25.936 -20.537 164 HE21 GLN 26 1HE2 GLN 26 -7.168 24.839 -21.095 165 HE22 GLN 26 2HE2 GLN 26 -7.091 23.236 -21.647 166 H CYS 27 H CYS 27 -0.553 24.794 -18.707 167 HA CYS 27 HA CYS 27 -0.318 26.191 -16.103 168 HB2 CYS 27 HB2 CYS 27 0.103 23.821 -15.087 169 HB3 CYS 27 HB1 CYS 27 -1.559 24.366 -15.312 170 H GLY 28 H GLY 28 1.818 26.342 -15.412 171 HA2 GLY 28 HA2 GLY 28 3.851 25.579 -17.394 172 HA3 GLY 28 HA1 GLY 28 4.124 26.565 -15.960 173 H GLU 29 H GLU 29 3.126 24.858 -13.975 174 HA GLU 29 HA GLU 29 4.656 22.327 -14.304 175 HB2 GLU 29 HB2 GLU 29 5.916 24.348 -13.119 176 HB3 GLU 29 HB1 GLU 29 4.956 23.830 -11.735 177 HG2 GLU 29 HG2 GLU 29 6.825 22.482 -11.467 178 HG3 GLU 29 HG1 GLU 29 5.814 21.428 -12.453 179 H GLY 30 H GLY 30 4.092 20.733 -12.595 180 HA2 GLY 30 HA2 GLY 30 2.247 20.918 -10.564 181 HA3 GLY 30 HA1 GLY 30 1.232 20.831 -12.003 182 H LEU 31 H LEU 31 0.821 18.757 -10.425 183 HA LEU 31 HA LEU 31 2.712 16.570 -10.960 184 HB2 LEU 31 HB2 LEU 31 0.137 16.839 -9.427 185 HB3 LEU 31 HB1 LEU 31 0.757 15.240 -9.829 186 HG LEU 31 HG LEU 31 1.501 16.141 -7.577 187 HD11 LEU 31 1HD1 LEU 31 3.707 15.613 -9.592 188 HD12 LEU 31 2HD1 LEU 31 2.715 14.361 -8.846 189 HD13 LEU 31 3HD1 LEU 31 3.789 15.343 -7.851 190 HD21 LEU 31 3HD2 LEU 31 1.806 18.496 -8.489 191 HD22 LEU 31 1HD2 LEU 31 3.275 17.917 -9.274 192 HD23 LEU 31 2HD2 LEU 31 3.147 17.893 -7.516 193 H CYS 32 H CYS 32 0.198 18.024 -12.663 194 HA CYS 32 HA CYS 32 0.042 15.665 -14.454 195 HB2 CYS 32 HB2 CYS 32 -2.478 17.122 -13.661 196 HB3 CYS 32 HB1 CYS 32 -2.322 15.564 -14.474 197 H CYS 33 H CYS 33 1.486 17.977 -14.964 198 HA CYS 33 HA CYS 33 -0.210 19.269 -17.058 199 HB2 CYS 33 HB2 CYS 33 0.292 20.817 -15.142 200 HB3 CYS 33 HB1 CYS 33 2.007 20.640 -15.507 201 H GLU 34 H GLU 34 0.537 18.472 -18.956 202 HA GLU 34 HA GLU 34 3.503 18.291 -19.306 203 HB2 GLU 34 HB2 GLU 34 1.502 16.621 -20.832 204 HB3 GLU 34 HB1 GLU 34 3.234 16.347 -20.638 205 HG2 GLU 34 HG2 GLU 34 2.179 16.446 -18.024 206 HG3 GLU 34 HG1 GLU 34 1.058 15.453 -18.957 207 H GLN 35 H GLN 35 4.329 19.330 -21.100 208 HA GLN 35 HA GLN 35 4.359 20.636 -23.052 209 HB2 GLN 35 HB2 GLN 35 1.493 19.772 -23.489 210 HB3 GLN 35 HB1 GLN 35 2.679 20.254 -24.703 211 HG2 GLN 35 HG2 GLN 35 4.071 18.250 -23.913 212 HG3 GLN 35 HG1 GLN 35 2.621 17.717 -23.063 213 HE21 GLN 35 1HE2 GLN 35 4.130 16.764 -25.659 214 HE22 GLN 35 2HE2 GLN 35 2.865 16.571 -26.775 215 H CYS 36 H CYS 36 3.595 21.763 -20.512 216 HA CYS 36 HA CYS 36 2.716 23.768 -19.670 217 HB2 CYS 36 HB2 CYS 36 2.180 24.494 -22.560 218 HB3 CYS 36 HB1 CYS 36 2.465 25.590 -21.203 219 H LYS 37 H LYS 37 0.971 21.381 -20.492 220 HA LYS 37 HA LYS 37 -1.610 22.846 -20.235 221 HB2 LYS 37 HB2 LYS 37 -0.849 20.773 -22.271 222 HB3 LYS 37 HB1 LYS 37 -2.518 20.863 -21.708 223 HG2 LYS 37 HG2 LYS 37 -2.526 23.301 -22.284 224 HG3 LYS 37 HG1 LYS 37 -0.916 23.102 -22.977 225 HD2 LYS 37 HD2 LYS 37 -2.164 21.092 -24.252 226 HD3 LYS 37 HD1 LYS 37 -3.549 22.156 -23.999 227 HE2 LYS 37 HE2 LYS 37 -2.853 23.253 -25.850 228 HE3 LYS 37 HE1 LYS 37 -1.565 23.902 -24.834 229 HZ1 LYS 37 HZ1 LYS 37 -1.129 22.493 -27.047 230 HZ2 LYS 37 HZ2 LYS 37 -1.114 21.241 -25.899 231 HZ3 LYS 37 HZ3 LYS 37 -0.041 22.549 -25.748 232 H PHE 38 H PHE 38 -3.380 21.264 -19.474 233 HA PHE 38 HA PHE 38 -2.418 19.872 -17.137 234 HB2 PHE 38 HB2 PHE 38 -5.115 19.426 -18.430 235 HB3 PHE 38 HB1 PHE 38 -4.689 19.288 -16.725 236 HD1 PHE 38 HD1 PHE 38 -3.426 21.574 -15.844 237 HD2 PHE 38 HD2 PHE 38 -6.372 21.313 -18.960 238 HE1 PHE 38 HE1 PHE 38 -4.012 23.956 -15.487 239 HE2 PHE 38 HE2 PHE 38 -6.959 23.698 -18.602 240 HZ PHE 38 HZ PHE 38 -5.778 25.018 -16.866 241 H SER 39 H SER 39 -3.517 17.459 -16.938 242 HA SER 39 HA SER 39 -2.186 15.920 -19.115 243 HB2 SER 39 HB2 SER 39 -1.770 14.246 -17.553 244 HB3 SER 39 HB1 SER 39 -1.723 15.669 -16.519 245 HG SER 39 HG SER 39 -4.056 15.249 -16.234 246 H ARG 40 H ARG 40 -3.786 13.524 -18.125 247 HA ARG 40 HA ARG 40 -6.310 14.197 -19.579 248 HB2 ARG 40 HB2 ARG 40 -4.381 12.091 -19.966 249 HB3 ARG 40 HB1 ARG 40 -5.938 11.387 -19.529 250 HG2 ARG 40 HG2 ARG 40 -6.677 11.771 -21.618 251 HG3 ARG 40 HG1 ARG 40 -6.457 13.503 -21.359 252 HD2 ARG 40 HD2 ARG 40 -4.042 13.227 -21.982 253 HD3 ARG 40 HD1 ARG 40 -4.385 11.547 -22.394 254 HE ARG 40 HE ARG 40 -5.277 12.336 -24.418 255 HH11 ARG 40 1HH2 ARG 40 -3.984 15.044 -23.344 256 HH12 ARG 40 2HH2 ARG 40 -5.258 16.133 -23.782 257 HH21 ARG 40 1HH1 ARG 40 -7.558 13.614 -24.399 258 HH22 ARG 40 2HH1 ARG 40 -7.282 15.323 -24.377 259 H ALA 41 H ALA 41 -8.224 12.950 -18.839 260 HA ALA 41 HA ALA 41 -8.519 13.053 -15.989 261 HB1 ALA 41 HB1 ALA 41 -10.247 11.654 -18.054 262 HB2 ALA 41 HB2 ALA 41 -10.429 13.327 -17.527 263 HB3 ALA 41 HB3 ALA 41 -10.722 12.008 -16.393 264 H GLY 42 H GLY 42 -7.527 11.634 -14.642 265 HA2 GLY 42 HA2 GLY 42 -7.497 9.373 -13.701 266 HA3 GLY 42 HA1 GLY 42 -7.653 8.737 -15.340 267 H LYS 43 H LYS 43 -5.463 11.349 -14.413 268 HA LYS 43 HA LYS 43 -3.203 9.717 -15.415 269 HB2 LYS 43 HB2 LYS 43 -3.210 11.943 -16.275 270 HB3 LYS 43 HB1 LYS 43 -3.509 12.635 -14.681 271 HG2 LYS 43 HG2 LYS 43 -1.146 12.919 -15.311 272 HG3 LYS 43 HG1 LYS 43 -1.289 11.837 -13.926 273 HD2 LYS 43 HD2 LYS 43 -1.043 9.888 -15.354 274 HD3 LYS 43 HD1 LYS 43 -1.065 10.899 -16.799 275 HE2 LYS 43 HE2 LYS 43 1.073 11.704 -16.441 276 HE3 LYS 43 HE1 LYS 43 0.968 11.502 -14.692 277 HZ1 LYS 43 HZ1 LYS 43 2.366 9.871 -16.177 278 HZ2 LYS 43 HZ2 LYS 43 0.863 9.102 -16.362 279 HZ3 LYS 43 HZ3 LYS 43 1.525 9.317 -14.813 280 H ILE 44 H ILE 44 -1.982 8.577 -13.998 281 HA ILE 44 HA ILE 44 -2.370 8.614 -11.186 282 HB ILE 44 HB ILE 44 -0.072 7.648 -12.891 283 HG12 ILE 44 2HG1 ILE 44 -2.356 6.548 -13.025 284 HG13 ILE 44 1HG1 ILE 44 -1.044 5.473 -12.538 285 HG21 ILE 44 1HG2 ILE 44 0.145 6.281 -10.531 286 HG22 ILE 44 2HG2 ILE 44 -0.331 7.880 -9.957 287 HG23 ILE 44 3HG2 ILE 44 1.117 7.692 -10.948 288 HD11 ILE 44 3HD1 ILE 44 -1.785 5.328 -10.354 289 HD12 ILE 44 1HD1 ILE 44 -3.330 5.559 -11.172 290 HD13 ILE 44 2HD1 ILE 44 -2.533 6.925 -10.390 291 H CYS 45 H CYS 45 -1.834 10.185 -9.776 292 HA CYS 45 HA CYS 45 0.520 11.924 -10.406 293 HB2 CYS 45 HB2 CYS 45 -0.654 13.536 -8.797 294 HB3 CYS 45 HB1 CYS 45 -1.420 13.298 -10.367 295 H ARG 46 H ARG 46 -0.893 9.732 -8.112 296 HA ARG 46 HA ARG 46 1.545 9.953 -6.439 297 HB2 ARG 46 HB2 ARG 46 -1.123 10.873 -5.639 298 HB3 ARG 46 HB1 ARG 46 -0.453 9.673 -4.533 299 HG2 ARG 46 HG2 ARG 46 1.439 10.995 -4.051 300 HG3 ARG 46 HG1 ARG 46 1.210 12.002 -5.481 301 HD2 ARG 46 HD2 ARG 46 -0.677 13.103 -4.529 302 HD3 ARG 46 HD1 ARG 46 -0.814 11.910 -3.238 303 HE ARG 46 HE ARG 46 1.063 12.943 -2.134 304 HH11 ARG 46 1HH1 ARG 46 -0.652 15.148 -3.754 305 HH12 ARG 46 2HH1 ARG 46 0.643 16.238 -4.120 306 HH21 ARG 46 1HH2 ARG 46 3.133 14.003 -3.212 307 HH22 ARG 46 2HH2 ARG 46 2.787 15.590 -3.811 308 H ILE 47 H ILE 47 1.839 8.113 -5.064 309 HA ILE 47 HA ILE 47 0.098 5.789 -5.664 310 HB ILE 47 HB ILE 47 2.937 6.203 -6.463 311 HG12 ILE 47 2HG1 ILE 47 1.014 6.067 -8.056 312 HG13 ILE 47 1HG1 ILE 47 2.235 4.828 -8.345 313 HG21 ILE 47 1HG2 ILE 47 3.563 4.455 -5.123 314 HG22 ILE 47 2HG2 ILE 47 2.935 3.531 -6.486 315 HG23 ILE 47 3HG2 ILE 47 1.933 3.783 -5.057 316 HD11 ILE 47 3HD1 ILE 47 0.577 3.600 -6.516 317 HD12 ILE 47 1HD1 ILE 47 0.509 3.361 -8.261 318 HD13 ILE 47 2HD1 ILE 47 -0.559 4.533 -7.488 319 HA PRO 48 HA PRO 48 1.116 5.784 -1.243 320 HB2 PRO 48 HB2 PRO 48 -1.278 4.660 -0.498 321 HB3 PRO 48 HB1 PRO 48 -1.057 6.399 -0.764 322 HG2 PRO 48 HG2 PRO 48 -2.439 4.399 -2.489 323 HG3 PRO 48 HG1 PRO 48 -2.695 6.148 -2.375 324 HD2 PRO 48 HD2 PRO 48 -1.250 4.797 -4.413 325 HD3 PRO 48 HD1 PRO 48 -1.272 6.551 -4.125 326 H ARG 49 H ARG 49 -0.980 3.111 -2.361 327 HA ARG 49 HA ARG 49 1.220 1.173 -2.024 328 HB2 ARG 49 HB2 ARG 49 0.001 1.538 0.232 329 HB3 ARG 49 HB1 ARG 49 -1.360 0.709 -0.524 330 HG2 ARG 49 HG2 ARG 49 0.092 -0.865 0.734 331 HG3 ARG 49 HG1 ARG 49 0.058 -1.240 -0.989 332 HD2 ARG 49 HD2 ARG 49 2.281 -0.926 -1.157 333 HD3 ARG 49 HD1 ARG 49 2.146 0.679 -0.437 334 HE ARG 49 HE ARG 49 1.937 -1.088 1.713 335 HH11 ARG 49 1HH1 ARG 49 4.234 0.693 0.135 336 HH12 ARG 49 2HH1 ARG 49 5.596 -0.268 0.611 337 HH21 ARG 49 1HH2 ARG 49 3.662 -2.829 1.926 338 HH22 ARG 49 2HH2 ARG 49 5.270 -2.262 1.627 339 H LEU 50 H LEU 50 0.918 -0.601 -3.384 340 HA LEU 50 HA LEU 50 -1.104 -0.388 -5.418 341 HB2 LEU 50 HB2 LEU 50 0.741 -2.665 -4.678 342 HB3 LEU 50 HB1 LEU 50 -0.300 -2.662 -6.100 343 HG LEU 50 HG LEU 50 1.620 -1.828 -7.022 344 HD11 LEU 50 1HD1 LEU 50 0.492 0.718 -5.852 345 HD12 LEU 50 2HD1 LEU 50 -0.145 -0.097 -7.280 346 HD13 LEU 50 3HD1 LEU 50 1.482 0.583 -7.306 347 HD21 LEU 50 3HD2 LEU 50 3.378 -0.770 -5.876 348 HD22 LEU 50 1HD2 LEU 50 2.689 -1.839 -4.654 349 HD23 LEU 50 2HD2 LEU 50 2.294 -0.120 -4.645 350 H ASP 51 H ASP 51 -1.289 -1.501 -2.260 351 HA ASP 51 HA ASP 51 -3.323 -3.552 -2.800 352 HB2 ASP 51 HB2 ASP 51 -1.676 -3.429 -0.763 353 HB3 ASP 51 HB1 ASP 51 -2.844 -2.280 -0.109 354 H MET 52 H MET 52 -3.408 -0.471 -3.448 355 HA MET 52 HA MET 52 -6.267 -0.187 -2.744 356 HB2 MET 52 HB2 MET 52 -4.786 2.301 -2.230 357 HB3 MET 52 HB1 MET 52 -6.060 1.540 -1.279 358 HG2 MET 52 HG2 MET 52 -4.451 -0.007 -0.287 359 HG3 MET 52 HG1 MET 52 -3.164 0.638 -1.307 360 HE1 MET 52 HE1 MET 52 -5.345 2.666 2.165 361 HE2 MET 52 HE2 MET 52 -4.957 0.948 2.115 362 HE3 MET 52 HE3 MET 52 -6.044 1.632 0.910 363 HA PRO 53 HA PRO 53 -6.366 2.048 -6.530 364 HB2 PRO 53 HB2 PRO 53 -7.774 4.348 -5.998 365 HB3 PRO 53 HB1 PRO 53 -8.518 2.742 -6.094 366 HG2 PRO 53 HG2 PRO 53 -7.924 4.395 -3.687 367 HG3 PRO 53 HG1 PRO 53 -9.168 3.153 -3.916 368 HD2 PRO 53 HD2 PRO 53 -6.722 2.822 -2.540 369 HD3 PRO 53 HD1 PRO 53 -7.809 1.514 -3.055 370 H ASP 54 H ASP 54 -5.075 3.441 -7.728 371 HA ASP 54 HA ASP 54 -3.084 5.031 -6.256 372 HB2 ASP 54 HB2 ASP 54 -3.434 4.697 -9.250 373 HB3 ASP 54 HB1 ASP 54 -2.000 5.294 -8.414 374 H ASP 55 H ASP 55 -3.045 7.271 -6.182 375 HA ASP 55 HA ASP 55 -5.454 8.730 -6.745 376 HB2 ASP 55 HB2 ASP 55 -2.624 9.640 -6.153 377 HB3 ASP 55 HB1 ASP 55 -3.983 10.752 -6.316 378 H ARG 56 H ARG 56 -6.122 9.585 -8.666 379 HA ARG 56 HA ARG 56 -4.064 9.888 -10.817 380 HB2 ARG 56 HB2 ARG 56 -6.764 8.657 -10.815 381 HB3 ARG 56 HB1 ARG 56 -6.372 9.649 -12.219 382 HG2 ARG 56 HG2 ARG 56 -4.459 8.330 -12.746 383 HG3 ARG 56 HG1 ARG 56 -4.490 7.526 -11.176 384 HD2 ARG 56 HD2 ARG 56 -6.495 6.330 -11.734 385 HD3 ARG 56 HD1 ARG 56 -6.740 7.297 -13.189 386 HE ARG 56 HE ARG 56 -4.212 5.815 -13.151 387 HH11 ARG 56 1HH2 ARG 56 -5.659 6.534 -15.657 388 HH12 ARG 56 2HH2 ARG 56 -6.363 5.022 -16.126 389 HH21 ARG 56 1HH1 ARG 56 -5.935 3.553 -13.014 390 HH22 ARG 56 2HH1 ARG 56 -6.519 3.334 -14.630 391 H CYS 57 H CYS 57 -4.623 11.593 -12.437 392 HA CYS 57 HA CYS 57 -5.597 14.003 -11.059 393 HB2 CYS 57 HB2 CYS 57 -4.762 13.850 -13.956 394 HB3 CYS 57 HB1 CYS 57 -4.647 15.220 -12.849 395 H THR 58 H THR 58 -7.301 15.354 -11.957 396 HA THR 58 HA THR 58 -9.542 13.779 -12.979 397 HB THR 58 HB THR 58 -10.792 15.910 -12.813 398 HG1 THR 58 HG1 THR 58 -8.374 17.025 -11.874 399 HG21 THR 58 3HG2 THR 58 -10.975 15.702 -10.560 400 HG22 THR 58 1HG2 THR 58 -9.257 16.001 -10.298 401 HG23 THR 58 2HG2 THR 58 -9.812 14.391 -10.757 402 H GLY 59 H GLY 59 -6.928 14.894 -14.539 403 HA2 GLY 59 HA2 GLY 59 -6.547 15.152 -16.854 404 HA3 GLY 59 HA1 GLY 59 -8.273 14.903 -17.118 405 H GLN 60 H GLN 60 -8.065 17.240 -14.802 406 HA GLN 60 HA GLN 60 -7.861 19.453 -16.796 407 HB2 GLN 60 HB2 GLN 60 -9.763 20.527 -15.394 408 HB3 GLN 60 HB1 GLN 60 -10.199 19.259 -16.542 409 HG2 GLN 60 HG2 GLN 60 -10.019 17.596 -14.658 410 HG3 GLN 60 HG1 GLN 60 -9.804 18.954 -13.552 411 HE21 GLN 60 1HE2 GLN 60 -11.663 20.788 -14.772 412 HE22 GLN 60 2HE2 GLN 60 -13.228 20.163 -14.568 413 H SER 61 H SER 61 -7.614 18.396 -13.433 414 HA SER 61 HA SER 61 -6.574 21.001 -12.561 415 HB2 SER 61 HB2 SER 61 -7.931 19.435 -11.091 416 HB3 SER 61 HB1 SER 61 -6.524 18.377 -11.049 417 HG SER 61 HG SER 61 -6.998 20.436 -9.519 418 H ALA 62 H ALA 62 -4.518 21.538 -13.123 419 HA ALA 62 HA ALA 62 -2.542 19.737 -14.069 420 HB1 ALA 62 HB1 ALA 62 -2.408 22.506 -12.881 421 HB2 ALA 62 HB2 ALA 62 -2.150 22.012 -14.555 422 HB3 ALA 62 HB3 ALA 62 -0.936 21.644 -13.330 423 H ASP 63 H ASP 63 -3.368 20.761 -10.800 424 HA ASP 63 HA ASP 63 -1.043 19.312 -9.681 425 HB2 ASP 63 HB2 ASP 63 -3.296 20.655 -8.167 426 HB3 ASP 63 HB1 ASP 63 -1.691 20.240 -7.564 427 H CYS 64 H CYS 64 -1.668 17.855 -7.691 428 HA CYS 64 HA CYS 64 -3.977 16.145 -8.529 429 HB2 CYS 64 HB2 CYS 64 -1.880 14.964 -8.868 430 HB3 CYS 64 HB1 CYS 64 -1.347 15.361 -7.236 431 HA PRO 65 HA PRO 65 -5.206 17.597 -4.456 432 HB2 PRO 65 HB2 PRO 65 -7.863 17.498 -5.113 433 HB3 PRO 65 HB1 PRO 65 -6.842 18.905 -5.417 434 HG2 PRO 65 HG2 PRO 65 -7.912 16.883 -7.323 435 HG3 PRO 65 HG1 PRO 65 -7.428 18.562 -7.622 436 HD2 PRO 65 HD2 PRO 65 -5.910 16.271 -8.256 437 HD3 PRO 65 HD1 PRO 65 -5.308 17.942 -8.213 438 H ARG 66 H ARG 66 -7.639 16.517 -3.508 439 HA ARG 66 HA ARG 66 -6.935 13.621 -3.359 440 HB2 ARG 66 HB2 ARG 66 -7.152 15.271 -1.289 441 HB3 ARG 66 HB1 ARG 66 -8.870 14.916 -1.475 442 HG2 ARG 66 HG2 ARG 66 -7.982 13.292 0.061 443 HG3 ARG 66 HG1 ARG 66 -8.260 12.456 -1.468 444 HD2 ARG 66 HD2 ARG 66 -5.935 12.532 -2.037 445 HD3 ARG 66 HD1 ARG 66 -5.585 13.655 -0.723 446 HE ARG 66 HE ARG 66 -6.703 11.246 0.356 447 HH11 ARG 66 1HH1 ARG 66 -3.864 12.943 -0.468 448 HH12 ARG 66 2HH1 ARG 66 -2.786 11.668 -0.008 449 HH21 ARG 66 1HH2 ARG 66 -5.325 9.404 0.665 450 HH22 ARG 66 2HH2 ARG 66 -3.613 9.666 0.636 451 H TYR 67 H TYR 67 -8.454 12.087 -3.970 452 HA TYR 67 HA TYR 67 -10.731 13.014 -5.536 453 HB2 TYR 67 HB2 TYR 67 -11.071 10.709 -6.090 454 HB3 TYR 67 HB1 TYR 67 -9.324 10.947 -6.034 455 HD1 TYR 67 HD1 TYR 67 -12.243 9.527 -4.269 456 HD2 TYR 67 HD2 TYR 67 -7.970 9.967 -4.273 457 HE1 TYR 67 HE1 TYR 67 -12.061 7.771 -2.527 458 HE2 TYR 67 HE2 TYR 67 -7.789 8.212 -2.531 459 HH TYR 67 HH TYR 67 -10.359 7.166 -0.702 460 H HIS 68 H HIS 68 -12.973 12.337 -5.090 461 HA HIS 68 HA HIS 68 -13.505 11.783 -2.205 462 HB2 HIS 68 HB2 HIS 68 -15.302 13.456 -2.211 463 HB3 HIS 68 HB1 HIS 68 -13.766 14.218 -2.625 464 HD1 HIS 68 HD1 HIS 68 -13.343 14.193 -5.413 465 HD2 HIS 68 HD2 HIS 68 -17.271 14.127 -4.019 466 HE1 HIS 68 HE1 HIS 68 -14.800 14.946 -7.342
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